1-[3-(butylamino)phenyl]pyrrolidin-2-one

C14H20N2O — CID 28680112

IUPAC1-[3-(butylamino)phenyl]pyrrolidin-2-one
SMILESCCCCNc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C14H20N2O/c1-2-3-9-15-12-6-4-7-13(11-12)16-10-5-8-14(16)17/h4,6-7,11,15H,2-3,5,8-10H2,1H3
InChIKeyVQUNURDCLPOGTL-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.03
Rot. Bonds5

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

1-[3-(butylamino)phenyl]pyrrolidin-2-one (PubChem CID 28680112) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[3-(butylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(butylamino)phenyl]pyrrolidin-2-one
PubChem CID28680112
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[3-(butylamino)phenyl]pyrrolidin-2-one
SMILESCCCCNc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C14H20N2O/c1-2-3-9-15-12-6-4-7-13(11-12)16-10-5-8-14(16)17/h4,6-7,11,15H,2-3,5,8-10H2,1H3
InChIKeyVQUNURDCLPOGTL-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one
CID 81411006
1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680051
diethyl 2-[3-(2-oxopyrrolidin-1-yl)anilino]propanedioate
CID 71396384
4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 8589902
1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one
CID 168597538
N-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide
CID 7636261
1-[3-[(3-bromophenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680049
N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide
CID 30679921
1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one
CID 115652503
2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide
CID 32756509
1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one
CID 104749314
4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride
CID 119692821

Frequently Asked Questions

What is the IUPAC name of 1-[3-(butylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(butylamino)phenyl]pyrrolidin-2-one (CID 28680112) is 1-[3-(butylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(butylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(butylamino)phenyl]pyrrolidin-2-one is CCCCNc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-[3-(butylamino)phenyl]pyrrolidin-2-one?
The InChIKey is VQUNURDCLPOGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-3-9-15-12-6-4-7-13(11-12)16-10-5-8-14(16)17/h4,6-7,11,15H,2-3,5,8-10H2,1H3.
What are the key properties of 1-[3-(butylamino)phenyl]pyrrolidin-2-one?
1-[3-(butylamino)phenyl]pyrrolidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(butylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 28680112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).