1-[4-(3-ethylphenyl)-3-methylbutyl]pyrrolidin-2-one

C17H25NO — CID 146604531

IUPAC1-[4-(3-ethylphenyl)-3-methylbutyl]pyrrolidin-2-one
SMILESCCc1cccc(CC(C)CCN2CCCC2=O)c1
InChIInChI=1S/C17H25NO/c1-3-15-6-4-7-16(13-15)12-14(2)9-11-18-10-5-8-17(18)19/h4,6-7,13-14H,3,5,8-12H2,1-2H3
InChIKeyVGZCRJNFQGBPCB-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.44
Rot. Bonds6

About 1-[4-(3-ethylphenyl)-3-methylbutyl]pyrrolidin-2-one

1-[4-(3-ethylphenyl)-3-methylbutyl]pyrrolidin-2-one (PubChem CID 146604531) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[4-(3-ethylphenyl)-3-methylbutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(3-ethylphenyl)-3-methylbutyl]pyrrolidin-2-one
PubChem CID146604531
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-[4-(3-ethylphenyl)-3-methylbutyl]pyrrolidin-2-one
SMILESCCc1cccc(CC(C)CCN2CCCC2=O)c1
InChIInChI=1S/C17H25NO/c1-3-15-6-4-7-16(13-15)12-14(2)9-11-18-10-5-8-17(18)19/h4,6-7,13-14H,3,5,8-12H2,1-2H3
InChIKeyVGZCRJNFQGBPCB-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-ethylphenyl)methyl]piperidin-2-one
CID 70929088
1-[[3-(bromomethyl)phenyl]methyl]pyrrolidin-2-one
CID 164596581
1-[[3-(diethylaminomethyl)phenyl]methyl]pyrrolidin-2-one
CID 70502811
1-(3,3-diethoxypropyl)pyrrolidin-2-one
CID 63628099
1-(5-hydroxy-4-methylpentyl)pyrrolidin-2-one
CID 106159349
2-ethyl-1-[3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]diazinan-3-one
CID 174535538
1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 94784827
2-methyl-4-(2-oxopiperidin-1-yl)butanoic acid
CID 12842030
1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride
CID 142636287
ethane;1-(3-ethylphenyl)piperidin-2-one
CID 171523765
2-methyl-1-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111126304
1-(2,6-diethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 4998012

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethylphenyl)-3-methylbutyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(3-ethylphenyl)-3-methylbutyl]pyrrolidin-2-one (CID 146604531) is 1-[4-(3-ethylphenyl)-3-methylbutyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(3-ethylphenyl)-3-methylbutyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(3-ethylphenyl)-3-methylbutyl]pyrrolidin-2-one is CCc1cccc(CC(C)CCN2CCCC2=O)c1.
What is the InChIKey of 1-[4-(3-ethylphenyl)-3-methylbutyl]pyrrolidin-2-one?
The InChIKey is VGZCRJNFQGBPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-15-6-4-7-16(13-15)12-14(2)9-11-18-10-5-8-17(18)19/h4,6-7,13-14H,3,5,8-12H2,1-2H3.
What are the key properties of 1-[4-(3-ethylphenyl)-3-methylbutyl]pyrrolidin-2-one?
1-[4-(3-ethylphenyl)-3-methylbutyl]pyrrolidin-2-one has a molecular weight of 259.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethylphenyl)-3-methylbutyl]pyrrolidin-2-one is sourced from PubChem (CID 146604531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).