N-(1-methyl-2-oxopyrrolidin-3-yl)azepane-2-carboxamide

C12H21N3O2 — CID 104954776

IUPACN-(1-methyl-2-oxopyrrolidin-3-yl)azepane-2-carboxamide
SMILESCN1CCC(NC(=O)C2CCCCCN2)C1=O
InChIInChI=1S/C12H21N3O2/c1-15-8-6-10(12(15)17)14-11(16)9-5-3-2-4-7-13-9/h9-10,13H,2-8H2,1H3,(H,14,16)
InChIKeyINBRXRVPYPJFEA-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.13
Rot. Bonds2

About N-(1-methyl-2-oxopyrrolidin-3-yl)azepane-2-carboxamide

N-(1-methyl-2-oxopyrrolidin-3-yl)azepane-2-carboxamide (PubChem CID 104954776) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(1-methyl-2-oxopyrrolidin-3-yl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxopyrrolidin-3-yl)azepane-2-carboxamide
PubChem CID104954776
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(1-methyl-2-oxopyrrolidin-3-yl)azepane-2-carboxamide
SMILESCN1CCC(NC(=O)C2CCCCCN2)C1=O
InChIInChI=1S/C12H21N3O2/c1-15-8-6-10(12(15)17)14-11(16)9-5-3-2-4-7-13-9/h9-10,13H,2-8H2,1H3,(H,14,16)
InChIKeyINBRXRVPYPJFEA-UHFFFAOYSA-N
XLogP-0.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119322682
3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-2-carboxamide
CID 106256043
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide
CID 119341765
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide;hydrochloride
CID 119321185
N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119324335
N-(2-oxoazepan-3-yl)pyrrolidine-2-carboxamide
CID 43704078
1-methyl-3-(piperidin-2-ylmethylamino)pyrrolidin-2-one
CID 106252871
(3S)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106255764
N-cyclopentylazepane-2-carboxamide
CID 64564743
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119341782
N-(1-methyl-2-oxopyrrolidin-3-yl)-6-azaspiro[2.5]octane-2-carboxamide
CID 103872609
N-[6-(piperidine-2-carbonylamino)piperidin-2-yl]piperidine-2-carboxamide
CID 4867709

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxopyrrolidin-3-yl)azepane-2-carboxamide?
The IUPAC name of N-(1-methyl-2-oxopyrrolidin-3-yl)azepane-2-carboxamide (CID 104954776) is N-(1-methyl-2-oxopyrrolidin-3-yl)azepane-2-carboxamide.
What is the SMILES notation for N-(1-methyl-2-oxopyrrolidin-3-yl)azepane-2-carboxamide?
The canonical SMILES for N-(1-methyl-2-oxopyrrolidin-3-yl)azepane-2-carboxamide is CN1CCC(NC(=O)C2CCCCCN2)C1=O.
What is the InChIKey of N-(1-methyl-2-oxopyrrolidin-3-yl)azepane-2-carboxamide?
The InChIKey is INBRXRVPYPJFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-15-8-6-10(12(15)17)14-11(16)9-5-3-2-4-7-13-9/h9-10,13H,2-8H2,1H3,(H,14,16).
What are the key properties of N-(1-methyl-2-oxopyrrolidin-3-yl)azepane-2-carboxamide?
N-(1-methyl-2-oxopyrrolidin-3-yl)azepane-2-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxopyrrolidin-3-yl)azepane-2-carboxamide is sourced from PubChem (CID 104954776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).