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

C16H24N2O — CID 103930966

IUPAC1-[4-(hexan-3-ylamino)phenyl]pyrrolidin-2-one
SMILESCCCC(CC)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H24N2O/c1-3-6-13(4-2)17-14-8-10-15(11-9-14)18-12-5-7-16(18)19/h8-11,13,17H,3-7,12H2,1-2H3
InChIKeyWCKWWKCEOXUACT-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.80
Rot. Bonds6

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

1-[4-(hexan-3-ylamino)phenyl]pyrrolidin-2-one (PubChem CID 103930966) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[4-(hexan-3-ylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(hexan-3-ylamino)phenyl]pyrrolidin-2-one
PubChem CID103930966
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[4-(hexan-3-ylamino)phenyl]pyrrolidin-2-one
SMILESCCCC(CC)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H24N2O/c1-3-6-13(4-2)17-14-8-10-15(11-9-14)18-12-5-7-16(18)19/h8-11,13,17H,3-7,12H2,1-2H3
InChIKeyWCKWWKCEOXUACT-UHFFFAOYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(heptan-3-ylamino)phenyl]pyrrolidin-2-one
CID 63946908
1-[4-(methylamino)phenyl]pyrrolidin-2-one
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1-[4-[(pentan-2-ylamino)methyl]phenyl]pyrrolidin-2-one
CID 43203969
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one
CID 43679619
1-[4-(1-cyclopentylethylamino)phenyl]pyrrolidin-2-one
CID 62632450
1-[4-(heptan-4-ylamino)phenyl]imidazolidin-2-one
CID 43724866
4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide
CID 43886220
1-[4-[(1R)-1-aminopropyl]phenyl]pyrrolidin-2-one
CID 79015875
1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one
CID 43679644
2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
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N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hexan-3-ylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(hexan-3-ylamino)phenyl]pyrrolidin-2-one (CID 103930966) is 1-[4-(hexan-3-ylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(hexan-3-ylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(hexan-3-ylamino)phenyl]pyrrolidin-2-one is CCCC(CC)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-(hexan-3-ylamino)phenyl]pyrrolidin-2-one?
The InChIKey is WCKWWKCEOXUACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-6-13(4-2)17-14-8-10-15(11-9-14)18-12-5-7-16(18)19/h8-11,13,17H,3-7,12H2,1-2H3.
What are the key properties of 1-[4-(hexan-3-ylamino)phenyl]pyrrolidin-2-one?
1-[4-(hexan-3-ylamino)phenyl]pyrrolidin-2-one has a molecular weight of 260.38 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hexan-3-ylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 103930966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).