(4R)-4-(azepane-1-carbonyl)-1-butylpyrrolidin-2-one

C15H26N2O2 — CID 9398374

IUPAC(4R)-4-(azepane-1-carbonyl)-1-butylpyrrolidin-2-one
SMILESCCCCN1C[C@H](C(=O)N2CCCCCC2)CC1=O
InChIInChI=1S/C15H26N2O2/c1-2-3-8-17-12-13(11-14(17)18)15(19)16-9-6-4-5-7-10-16/h13H,2-12H2,1H3/t13-/m1/s1
InChIKeyVPZVNUZDSIYXDR-CYBMUJFWSA-N
MW266.38 g/mol
LogP2.04
Rot. Bonds4

About (4R)-4-(azepane-1-carbonyl)-1-butylpyrrolidin-2-one

(4R)-4-(azepane-1-carbonyl)-1-butylpyrrolidin-2-one (PubChem CID 9398374) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (4R)-4-(azepane-1-carbonyl)-1-butylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(azepane-1-carbonyl)-1-butylpyrrolidin-2-one
PubChem CID9398374
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(4R)-4-(azepane-1-carbonyl)-1-butylpyrrolidin-2-one
SMILESCCCCN1C[C@H](C(=O)N2CCCCCC2)CC1=O
InChIInChI=1S/C15H26N2O2/c1-2-3-8-17-12-13(11-14(17)18)15(19)16-9-6-4-5-7-10-16/h13H,2-12H2,1H3/t13-/m1/s1
InChIKeyVPZVNUZDSIYXDR-CYBMUJFWSA-N
XLogP2.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N~3~,N~3~-dimethyl-5-oxo-3-pyrrolidinecarboxamide
CID 17081370
4-(Azepane-1-carbonyl)-1-cyclohexylpyrrolidin-2-one
CID 17257422
4-(Azepane-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 53181900
1-cyclopentyl-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 78843832
(3S)-1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 95051542
4-(4-Tert-butylazepane-1-carbonyl)-1-ethylpyrrolidin-2-one
CID 102557380
4-(4-Propylazepane-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 56800472
(4R)-4-[(4R)-4-propylazepane-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 94878389
(4R)-4-[(4S)-4-propylazepane-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95592905
(4S)-4-[(4R)-4-propylazepane-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95592906
(4S)-4-[(4S)-4-propylazepane-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95592907
4-(Azepane-1-carbonyl)-1-tert-butylpyrrolidin-2-one
CID 6472884

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(azepane-1-carbonyl)-1-butylpyrrolidin-2-one?
The IUPAC name of (4R)-4-(azepane-1-carbonyl)-1-butylpyrrolidin-2-one (CID 9398374) is (4R)-4-(azepane-1-carbonyl)-1-butylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(azepane-1-carbonyl)-1-butylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-(azepane-1-carbonyl)-1-butylpyrrolidin-2-one is CCCCN1C[C@H](C(=O)N2CCCCCC2)CC1=O.
What is the InChIKey of (4R)-4-(azepane-1-carbonyl)-1-butylpyrrolidin-2-one?
The InChIKey is VPZVNUZDSIYXDR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-3-8-17-12-13(11-14(17)18)15(19)16-9-6-4-5-7-10-16/h13H,2-12H2,1H3/t13-/m1/s1.
What are the key properties of (4R)-4-(azepane-1-carbonyl)-1-butylpyrrolidin-2-one?
(4R)-4-(azepane-1-carbonyl)-1-butylpyrrolidin-2-one has a molecular weight of 266.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(azepane-1-carbonyl)-1-butylpyrrolidin-2-one is sourced from PubChem (CID 9398374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).