4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one

C17H19NO2 — CID 168663115

IUPAC4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1CCc1cccc2ccccc12
InChIInChI=1S/C17H19NO2/c19-12-13-10-17(20)18(11-13)9-8-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,13,19H,8-12H2
InChIKeyVNKANVXQFBQVAW-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.22
Rot. Bonds4

About 4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one

4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one (PubChem CID 168663115) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one
PubChem CID168663115
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1CCc1cccc2ccccc12
InChIInChI=1S/C17H19NO2/c19-12-13-10-17(20)18(11-13)9-8-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,13,19H,8-12H2
InChIKeyVNKANVXQFBQVAW-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-naphthalen-1-ylethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671011
1-(2-naphthalen-1-ylethyl)-4-sulfanylpyrrolidin-2-one
CID 168709415
1-(2-isoquinolin-5-ylethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670980
S-[[1-(2-isoquinolin-5-ylethyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667651
4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one
CID 168660240
1-[2-(3-bromophenyl)ethyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663110
4-amino-1-(2-isoquinolin-5-ylethyl)pyrrolidin-2-one
CID 168700186
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663130
4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one
CID 168662991
4-(azidomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one
CID 168657235
1-[(2,3-dichlorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663225
1-[2-(2-chlorophenyl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670974

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one (CID 168663115) is 4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one is O=C1CC(CO)CN1CCc1cccc2ccccc12.
What is the InChIKey of 4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one?
The InChIKey is VNKANVXQFBQVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-12-13-10-17(20)18(11-13)9-8-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,13,19H,8-12H2.
What are the key properties of 4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one?
4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one has a molecular weight of 269.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 168663115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).