1-(1-naphthalen-2-ylethenyl)pyrrolidin-2-one

C16H15NO — CID 86025607

IUPAC1-(1-naphthalen-2-ylethenyl)pyrrolidin-2-one
SMILESC=C(c1ccc2ccccc2c1)N1CCCC1=O
InChIInChI=1S/C16H15NO/c1-12(17-10-4-7-16(17)18)14-9-8-13-5-2-3-6-15(13)11-14/h2-3,5-6,8-9,11H,1,4,7,10H2
InChIKeyPKNBAHBCZRTFKB-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.43
Rot. Bonds2

About 1-(1-naphthalen-2-ylethenyl)pyrrolidin-2-one

1-(1-naphthalen-2-ylethenyl)pyrrolidin-2-one (PubChem CID 86025607) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(1-naphthalen-2-ylethenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-naphthalen-2-ylethenyl)pyrrolidin-2-one
PubChem CID86025607
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1-(1-naphthalen-2-ylethenyl)pyrrolidin-2-one
SMILESC=C(c1ccc2ccccc2c1)N1CCCC1=O
InChIInChI=1S/C16H15NO/c1-12(17-10-4-7-16(17)18)14-9-8-13-5-2-3-6-15(13)11-14/h2-3,5-6,8-9,11H,1,4,7,10H2
InChIKeyPKNBAHBCZRTFKB-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Naphthalen-2-yl(pyrrolidin-1-yl)methanone
CID 795353
N-(9-anthrylmethyl)-1-cyclooctyl-N-methyl-5-oxo-pyrrolidine-3-carboxamide
CID 16072550
N-(9-anthrylmethyl)-1-cycloheptyl-N-methyl-5-oxo-pyrrolidine-3-carboxamide
CID 16072552
N-(9-anthrylmethyl)-1-cyclohexyl-N-methyl-5-oxo-pyrrolidine-3-carboxamide
CID 16072553
3-Methyl-1-(4-naphthalen-2-ylmethyl-piperazin-1-yl)-butan-1-one
CID 773342
(R)-N-(naphthalen-2-ylmethyl)-N-(pyrrolidin-3-yl)propionamide
CID 11543737
8-[(6-Fluoronaphthalen-2-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 71449695
5,9,10,10a-tetrahydrobenzo[f]pyrrolo[2,1-a]isoquinolin-8(6H)-one
CID 4526805
1-[2-(Naphthalen-1-yl)ethyl]pyrrolidin-2-one
CID 261416
(3R,3aR,7aR)-2-benzyl-7a-methyl-3-(2-naphthyl)-3,3a,6,7-tetrahydroisoindol-1-one
CID 16060515
(3R,3aS,7R,7aS)-2-benzyl-7-ethyl-3-naphthalen-2-yl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 16746391
(3R,3aS,7R,7aS)-7-methyl-3-(2-naphthalenyl)-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 16746425

Frequently Asked Questions

What is the IUPAC name of 1-(1-naphthalen-2-ylethenyl)pyrrolidin-2-one?
The IUPAC name of 1-(1-naphthalen-2-ylethenyl)pyrrolidin-2-one (CID 86025607) is 1-(1-naphthalen-2-ylethenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-naphthalen-2-ylethenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-naphthalen-2-ylethenyl)pyrrolidin-2-one is C=C(c1ccc2ccccc2c1)N1CCCC1=O.
What is the InChIKey of 1-(1-naphthalen-2-ylethenyl)pyrrolidin-2-one?
The InChIKey is PKNBAHBCZRTFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-12(17-10-4-7-16(17)18)14-9-8-13-5-2-3-6-15(13)11-14/h2-3,5-6,8-9,11H,1,4,7,10H2.
What are the key properties of 1-(1-naphthalen-2-ylethenyl)pyrrolidin-2-one?
1-(1-naphthalen-2-ylethenyl)pyrrolidin-2-one has a molecular weight of 237.30 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-naphthalen-2-ylethenyl)pyrrolidin-2-one is sourced from PubChem (CID 86025607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).