4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

C11H14N2O2 — CID 13422569

IUPAC4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1Cc1ccccn1
InChIInChI=1S/C11H14N2O2/c14-8-9-5-11(15)13(6-9)7-10-3-1-2-4-12-10/h1-4,9,14H,5-8H2
InChIKeyPSTVPTVPMATIQQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.42
Rot. Bonds3

About 4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (PubChem CID 13422569) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
PubChem CID13422569
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1Cc1ccccn1
InChIInChI=1S/C11H14N2O2/c14-8-9-5-11(15)13(6-9)7-10-3-1-2-4-12-10/h1-4,9,14H,5-8H2
InChIKeyPSTVPTVPMATIQQ-UHFFFAOYSA-N
XLogP0.42
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azidomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 168657443
4-ethynyl-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 168501874
4-isocyanato-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 82024603
(4S)-4-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindole-2-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 95532445
[5-oxo-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673732
4-(hydroxymethyl)-1-(imidazo[1,2-a]pyridin-6-ylmethyl)pyrrolidin-2-one
CID 168663176
1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 106900848
(3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 94125432
(6R)-6-(aminomethyl)-4-(pyridin-2-ylmethyl)morpholin-3-one
CID 42078812
N-(2,4-dichlorophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 75808688
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 38484249
4-(hydroxymethyl)-1-[(4-iodophenyl)methyl]pyrrolidin-2-one
CID 168663170

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (CID 13422569) is 4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is O=C1CC(CO)CN1Cc1ccccn1.
What is the InChIKey of 4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is PSTVPTVPMATIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-8-9-5-11(15)13(6-9)7-10-3-1-2-4-12-10/h1-4,9,14H,5-8H2.
What are the key properties of 4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 206.24 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 13422569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).