4-(hydroxymethyl)pyrrolidine-3-carbonitrile

C6H10N2O — CID 23329186

IUPAC4-(hydroxymethyl)pyrrolidine-3-carbonitrile
SMILESN#CC1CNCC1CO
InChIInChI=1S/C6H10N2O/c7-1-5-2-8-3-6(5)4-9/h5-6,8-9H,2-4H2
InChIKeyFBOGZARKLVTNCZ-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.66
Rot. Bonds1

About 4-(hydroxymethyl)pyrrolidine-3-carbonitrile

4-(hydroxymethyl)pyrrolidine-3-carbonitrile (PubChem CID 23329186) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 4-(hydroxymethyl)pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name4-(hydroxymethyl)pyrrolidine-3-carbonitrile
PubChem CID23329186
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name4-(hydroxymethyl)pyrrolidine-3-carbonitrile
SMILESN#CC1CNCC1CO
InChIInChI=1S/C6H10N2O/c7-1-5-2-8-3-6(5)4-9/h5-6,8-9H,2-4H2
InChIKeyFBOGZARKLVTNCZ-UHFFFAOYSA-N
XLogP-0.66
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

D-beta-Prolinol
CID 7446913
(Pyrrolidin-3-yl)methanol
CID 13400657
(Pyrrolidin-3-yl)methanol hydrochloride
CID 23080030
(3S)-pyrrolidin-3-ylmethanol hydrochloride
CID 43810917
(3R)-pyrrolidin-3-ylmethanol hydrochloride
CID 43810918
rac-[(3R,4R)-4-methylpyrrolidin-3-yl]methanol
CID 49757939
rac-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
CID 53410317
(3S)-3-Pyrrolidinemethanol
CID 7446911
3-(Hydroxymethyl)pyrrolidine-3-carbonitrile hydrochloride
CID 170911425
cis-Pyrrolidine-3,4-diyldimethanol
CID 16726851
rel-(3R,4R)-4-Methyl-3-pyrrolidinemethanol
CID 46835700
[(3R,4S)-4-(fluoromethyl)pyrrolidin-3-yl]methanol
CID 168028426

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)pyrrolidine-3-carbonitrile?
The IUPAC name of 4-(hydroxymethyl)pyrrolidine-3-carbonitrile (CID 23329186) is 4-(hydroxymethyl)pyrrolidine-3-carbonitrile.
What is the SMILES notation for 4-(hydroxymethyl)pyrrolidine-3-carbonitrile?
The canonical SMILES for 4-(hydroxymethyl)pyrrolidine-3-carbonitrile is N#CC1CNCC1CO.
What is the InChIKey of 4-(hydroxymethyl)pyrrolidine-3-carbonitrile?
The InChIKey is FBOGZARKLVTNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c7-1-5-2-8-3-6(5)4-9/h5-6,8-9H,2-4H2.
What are the key properties of 4-(hydroxymethyl)pyrrolidine-3-carbonitrile?
4-(hydroxymethyl)pyrrolidine-3-carbonitrile has a molecular weight of 126.16 g/mol, XLogP of -0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)pyrrolidine-3-carbonitrile is sourced from PubChem (CID 23329186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).