4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one

C15H19NO2 — CID 168662991

IUPAC4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one
SMILESO=C1CC(CO)CN1CC1(c2ccccc2)CC1
InChIInChI=1S/C15H19NO2/c17-10-12-8-14(18)16(9-12)11-15(6-7-15)13-4-2-1-3-5-13/h1-5,12,17H,6-11H2
InChIKeyQTVSKWNJPKZXNR-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.56
Rot. Bonds4

About 4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one

4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one (PubChem CID 168662991) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one
PubChem CID168662991
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one
SMILESO=C1CC(CO)CN1CC1(c2ccccc2)CC1
InChIInChI=1S/C15H19NO2/c17-10-12-8-14(18)16(9-12)11-15(6-7-15)13-4-2-1-3-5-13/h1-5,12,17H,6-11H2
InChIKeyQTVSKWNJPKZXNR-UHFFFAOYSA-N
XLogP1.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(chloromethyl)-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one
CID 168508191
4-ethenyl-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one
CID 168685186
4-(chloromethyl)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyrrolidin-2-one
CID 168508185
4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one
CID 168663115
[1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681858
4-(hydroxymethyl)-1-(3-phenylsulfanylpropyl)pyrrolidin-2-one
CID 168663037
4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 13422569
1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691319
1-[(2,3-dichlorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663225
1-[[4-(dimethylamino)oxan-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662216
1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 106900848
tert-butyl 4-[(2-oxo-4-sulfamoylpyrrolidin-1-yl)methyl]-4-phenylpiperidine-1-carboxylate
CID 168716791

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one (CID 168662991) is 4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one is O=C1CC(CO)CN1CC1(c2ccccc2)CC1.
What is the InChIKey of 4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one?
The InChIKey is QTVSKWNJPKZXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-10-12-8-14(18)16(9-12)11-15(6-7-15)13-4-2-1-3-5-13/h1-5,12,17H,6-11H2.
What are the key properties of 4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one?
4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one has a molecular weight of 245.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168662991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).