5-ethyl-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one

C17H19NO — CID 104687535

IUPAC5-ethyl-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
SMILESCCC1(Cc2cccc3ccccc23)CCC(=O)N1
InChIInChI=1S/C17H19NO/c1-2-17(11-10-16(19)18-17)12-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,2,10-12H2,1H3,(H,18,19)
InChIKeyQYEAZGAZTHSDGC-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.44
Rot. Bonds3

About 5-ethyl-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one

5-ethyl-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one (PubChem CID 104687535) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-ethyl-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-ethyl-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
PubChem CID104687535
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name5-ethyl-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
SMILESCCC1(Cc2cccc3ccccc23)CCC(=O)N1
InChIInChI=1S/C17H19NO/c1-2-17(11-10-16(19)18-17)12-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,2,10-12H2,1H3,(H,18,19)
InChIKeyQYEAZGAZTHSDGC-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(2-cyclopropylphenyl)methyl]-5-ethylpyrrolidin-2-one
CID 104687587
5-[[2-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one
CID 104687544
N-[2-(2-fluorophenyl)ethyl]-3-[(2S)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 26275115
N-[(3-methyl-2-pyridinyl)methyl]-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45219444
5-ethyl-5-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-one
CID 113441381
(5S)-5-[3-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
CID 42323302
5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
CID 45179155
5-ethyl-5-[(3-propan-2-yloxyphenyl)methyl]pyrrolidin-2-one
CID 104687511
5-[(2,3-dimethylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687622
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-[(2R)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 42319174
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45224221
(5S)-5-[3-[4-[(R)-hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
CID 42172036

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 5-ethyl-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one (CID 104687535) is 5-ethyl-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-ethyl-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 5-ethyl-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one is CCC1(Cc2cccc3ccccc23)CCC(=O)N1.
What is the InChIKey of 5-ethyl-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one?
The InChIKey is QYEAZGAZTHSDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-17(11-10-16(19)18-17)12-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,2,10-12H2,1H3,(H,18,19).
What are the key properties of 5-ethyl-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one?
5-ethyl-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one has a molecular weight of 253.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 104687535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).