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

C17H26N2O — CID 63946908

IUPAC1-[4-(heptan-3-ylamino)phenyl]pyrrolidin-2-one
SMILESCCCCC(CC)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H26N2O/c1-3-5-7-14(4-2)18-15-9-11-16(12-10-15)19-13-6-8-17(19)20/h9-12,14,18H,3-8,13H2,1-2H3
InChIKeyMASZXGYJBDUROH-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.19
Rot. Bonds7

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

1-[4-(heptan-3-ylamino)phenyl]pyrrolidin-2-one (PubChem CID 63946908) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[4-(heptan-3-ylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(heptan-3-ylamino)phenyl]pyrrolidin-2-one
PubChem CID63946908
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[4-(heptan-3-ylamino)phenyl]pyrrolidin-2-one
SMILESCCCCC(CC)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H26N2O/c1-3-5-7-14(4-2)18-15-9-11-16(12-10-15)19-13-6-8-17(19)20/h9-12,14,18H,3-8,13H2,1-2H3
InChIKeyMASZXGYJBDUROH-UHFFFAOYSA-N
XLogP4.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(hexan-3-ylamino)phenyl]pyrrolidin-2-one
CID 103930966
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
N-(1-aminohexan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119667044
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
N-(4-butylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822486
1-[4-[(1R)-1-aminopropyl]phenyl]pyrrolidin-2-one
CID 79015875
1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one
CID 43679644
N,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 2249244
1-[4-[(pentan-2-ylamino)methyl]phenyl]pyrrolidin-2-one
CID 43203969
2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 65225875

Frequently Asked Questions

What is the IUPAC name of 1-[4-(heptan-3-ylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(heptan-3-ylamino)phenyl]pyrrolidin-2-one (CID 63946908) is 1-[4-(heptan-3-ylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(heptan-3-ylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(heptan-3-ylamino)phenyl]pyrrolidin-2-one is CCCCC(CC)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-(heptan-3-ylamino)phenyl]pyrrolidin-2-one?
The InChIKey is MASZXGYJBDUROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-5-7-14(4-2)18-15-9-11-16(12-10-15)19-13-6-8-17(19)20/h9-12,14,18H,3-8,13H2,1-2H3.
What are the key properties of 1-[4-(heptan-3-ylamino)phenyl]pyrrolidin-2-one?
1-[4-(heptan-3-ylamino)phenyl]pyrrolidin-2-one has a molecular weight of 274.41 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(heptan-3-ylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 63946908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).