1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one

C15H19NO2 — CID 43161134

IUPAC1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one
SMILESCC(C)CC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C15H19NO2/c1-11(2)10-14(17)12-5-7-13(8-6-12)16-9-3-4-15(16)18/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyMDAYGYUUCABULX-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.04
Rot. Bonds4

About 1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one

1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one (PubChem CID 43161134) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one
PubChem CID43161134
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one
SMILESCC(C)CC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C15H19NO2/c1-11(2)10-14(17)12-5-7-13(8-6-12)16-9-3-4-15(16)18/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyMDAYGYUUCABULX-UHFFFAOYSA-N
XLogP3.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
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1-(4-heptanoylphenyl)pyrrolidin-2-one
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N-(2-methylpropyl)-4-(2-oxopiperidin-1-yl)benzamide
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1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]phenyl]pyrrolidin-2-one
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1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8650952
1-cyanoethyl 4-(2-oxopyrrolidin-1-yl)benzoate
CID 4030036
4-methyl-2-[[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]pentanoic acid
CID 119252803
[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3342322
1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one
CID 43679619
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 8751476
4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide
CID 110416590

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one (CID 43161134) is 1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one is CC(C)CC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one?
The InChIKey is MDAYGYUUCABULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11(2)10-14(17)12-5-7-13(8-6-12)16-9-3-4-15(16)18/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one?
1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one has a molecular weight of 245.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 43161134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).