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

C15H26N2O2 — CID 6472884

IUPAC4-(azepane-1-carbonyl)-1-tert-butylpyrrolidin-2-one
SMILESCC(C)(C)N1CC(C(=O)N2CCCCCC2)CC1=O
InChIInChI=1S/C15H26N2O2/c1-15(2,3)17-11-12(10-13(17)18)14(19)16-8-6-4-5-7-9-16/h12H,4-11H2,1-3H3
InChIKeyJTOBTOJDVFWXHF-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.04
Rot. Bonds1

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

4-(azepane-1-carbonyl)-1-tert-butylpyrrolidin-2-one (PubChem CID 6472884) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-(azepane-1-carbonyl)-1-tert-butylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(azepane-1-carbonyl)-1-tert-butylpyrrolidin-2-one
PubChem CID6472884
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-(azepane-1-carbonyl)-1-tert-butylpyrrolidin-2-one
SMILESCC(C)(C)N1CC(C(=O)N2CCCCCC2)CC1=O
InChIInChI=1S/C15H26N2O2/c1-15(2,3)17-11-12(10-13(17)18)14(19)16-8-6-4-5-7-9-16/h12H,4-11H2,1-3H3
InChIKeyJTOBTOJDVFWXHF-UHFFFAOYSA-N
XLogP2.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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
(3S)-N-methyl-5-oxo-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide
CID 97853516
4-(4-Tert-butylazepane-1-carbonyl)-1-ethylpyrrolidin-2-one
CID 102557380
1-cyclohexyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 17257432
1-cycloheptyl-N~3~,N~3~-dimethyl-5-oxo-3-pyrrolidinecarboxamide
CID 53016013
1-[3-(2,6-Dimethylazepan-1-yl)-3-oxopropyl]pyrrolidin-2-one
CID 72127016
(3R)-N,N-dimethyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401024
1-[3-(Azepan-1-yl)propyl]pyrrolidine-2,5-dione
CID 67229894

Frequently Asked Questions

What is the IUPAC name of 4-(azepane-1-carbonyl)-1-tert-butylpyrrolidin-2-one?
The IUPAC name of 4-(azepane-1-carbonyl)-1-tert-butylpyrrolidin-2-one (CID 6472884) is 4-(azepane-1-carbonyl)-1-tert-butylpyrrolidin-2-one.
What is the SMILES notation for 4-(azepane-1-carbonyl)-1-tert-butylpyrrolidin-2-one?
The canonical SMILES for 4-(azepane-1-carbonyl)-1-tert-butylpyrrolidin-2-one is CC(C)(C)N1CC(C(=O)N2CCCCCC2)CC1=O.
What is the InChIKey of 4-(azepane-1-carbonyl)-1-tert-butylpyrrolidin-2-one?
The InChIKey is JTOBTOJDVFWXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(2,3)17-11-12(10-13(17)18)14(19)16-8-6-4-5-7-9-16/h12H,4-11H2,1-3H3.
What are the key properties of 4-(azepane-1-carbonyl)-1-tert-butylpyrrolidin-2-one?
4-(azepane-1-carbonyl)-1-tert-butylpyrrolidin-2-one has a molecular weight of 266.38 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepane-1-carbonyl)-1-tert-butylpyrrolidin-2-one is sourced from PubChem (CID 6472884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).