chempirical

Prolinol

C5H11NOCAS 498-63-5101.15 g/mol

Open in Covalent MOL file
HOHN
AlcoholSecondary amine

Properties

Molecular formula
C5H11NO
Molar mass
101.15 g/mol
Exact mass
101.0841 Da
Boiling point
148–153 °C (at 12 Torr)
logP
-0.27Crippen estimate
Polar surface area
32.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
498-63-5
SMILES
OCC1CCCN1
InChIKey
HVVNJUAVDAZWCB-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 2-Pyrrolidinemethanol
  • 2-Hydroxymethylpyrrolidine
  • DL-Prolinol
  • NSC 367102
  • Pyrrolidin-2-ylmethanol

Work with Prolinol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

L-Prolinol23356-96-9100 % similar Prolinol68832-13-3100 % similar 2-Piperidinemethanol3433-37-285 % similar (S)-2-(Piperidin-2-yl)ethanol103639-57-252 % similar 2-Piperidineethanol1484-84-052 % similar 2-Pyrrolidinemethanamine57734-57-350 % similar 2-(Cyclohexylamino)ethanol2842-38-848 % similar (+)-Ethambutol74-55-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-(+)-1-Methyl-3-pyrrolidinol104641-59-0 (3R)-1-Methyl-3-pyrrolidinol104641-60-3 (3R)-Tetrahydro-3-furanmethanamine1048962-82-8 (3S)-Tetrahydro-3-furanmethanamine1048962-84-0 N-Methylmorpholine109-02-4 D-Beta-Prolinol110013-18-8 (3S)-3-Pyrrolidinemethanol110013-19-9 Oxan-3-amine120811-32-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook