4-methyl-1-(4-oxo-4-phenylbutyl)pyrrolidin-2-one

C15H19NO2 — CID 63102458

IUPAC4-methyl-1-(4-oxo-4-phenylbutyl)pyrrolidin-2-one
SMILESCC1CC(=O)N(CCCC(=O)c2ccccc2)C1
InChIInChI=1S/C15H19NO2/c1-12-10-15(18)16(11-12)9-5-8-14(17)13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11H2,1H3
InChIKeyWBQJCXLCSVNGAS-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.52
Rot. Bonds5

About 4-methyl-1-(4-oxo-4-phenylbutyl)pyrrolidin-2-one

4-methyl-1-(4-oxo-4-phenylbutyl)pyrrolidin-2-one (PubChem CID 63102458) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-methyl-1-(4-oxo-4-phenylbutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-methyl-1-(4-oxo-4-phenylbutyl)pyrrolidin-2-one
PubChem CID63102458
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-methyl-1-(4-oxo-4-phenylbutyl)pyrrolidin-2-one
SMILESCC1CC(=O)N(CCCC(=O)c2ccccc2)C1
InChIInChI=1S/C15H19NO2/c1-12-10-15(18)16(11-12)9-5-8-14(17)13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11H2,1H3
InChIKeyWBQJCXLCSVNGAS-UHFFFAOYSA-N
XLogP2.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromobutyl)-4-methylpyrrolidin-2-one
CID 63103884
1-ethyl-4-(4-oxo-4-phenylbutyl)piperazine-2,3-dione
CID 62017487
1-(5-hydroxyhexyl)-4-methylpyrrolidin-2-one
CID 63101369
1-[4-(4-bromophenyl)-4-oxobutyl]-4-methylpiperidine-2,6-dione
CID 79497216
ethane;4-methyl-1-(3-oxobutyl)pyrrolidin-2-one
CID 168988048
4-methyl-1-(9-sulfanylnonyl)pyrrolidin-2-one
CID 105344613
1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 63100627
(4R)-1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 170372384
1-[2-(4-ethylphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 55177462
1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 63104444
4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-one
CID 55153161
1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 63102277

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-oxo-4-phenylbutyl)pyrrolidin-2-one?
The IUPAC name of 4-methyl-1-(4-oxo-4-phenylbutyl)pyrrolidin-2-one (CID 63102458) is 4-methyl-1-(4-oxo-4-phenylbutyl)pyrrolidin-2-one.
What is the SMILES notation for 4-methyl-1-(4-oxo-4-phenylbutyl)pyrrolidin-2-one?
The canonical SMILES for 4-methyl-1-(4-oxo-4-phenylbutyl)pyrrolidin-2-one is CC1CC(=O)N(CCCC(=O)c2ccccc2)C1.
What is the InChIKey of 4-methyl-1-(4-oxo-4-phenylbutyl)pyrrolidin-2-one?
The InChIKey is WBQJCXLCSVNGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-12-10-15(18)16(11-12)9-5-8-14(17)13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11H2,1H3.
What are the key properties of 4-methyl-1-(4-oxo-4-phenylbutyl)pyrrolidin-2-one?
4-methyl-1-(4-oxo-4-phenylbutyl)pyrrolidin-2-one has a molecular weight of 245.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-oxo-4-phenylbutyl)pyrrolidin-2-one is sourced from PubChem (CID 63102458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).