N-(5-oxopyrrolidin-3-yl)azepane-2-carboxamide

C11H19N3O2 — CID 106187835

IUPACN-(5-oxopyrrolidin-3-yl)azepane-2-carboxamide
SMILESO=C1CC(NC(=O)C2CCCCCN2)CN1
InChIInChI=1S/C11H19N3O2/c15-10-6-8(7-13-10)14-11(16)9-4-2-1-3-5-12-9/h8-9,12H,1-7H2,(H,13,15)(H,14,16)
InChIKeyFBCYLIRBCPGLLN-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.48
Rot. Bonds2

About N-(5-oxopyrrolidin-3-yl)azepane-2-carboxamide

N-(5-oxopyrrolidin-3-yl)azepane-2-carboxamide (PubChem CID 106187835) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(5-oxopyrrolidin-3-yl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(5-oxopyrrolidin-3-yl)azepane-2-carboxamide
PubChem CID106187835
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(5-oxopyrrolidin-3-yl)azepane-2-carboxamide
SMILESO=C1CC(NC(=O)C2CCCCCN2)CN1
InChIInChI=1S/C11H19N3O2/c15-10-6-8(7-13-10)14-11(16)9-4-2-1-3-5-12-9/h8-9,12H,1-7H2,(H,13,15)(H,14,16)
InChIKeyFBCYLIRBCPGLLN-UHFFFAOYSA-N
XLogP-0.48
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentylazepane-2-carboxamide
CID 64564743
cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 106184592
N-(4-aminocyclohexyl)azepane-2-carboxamide
CID 64569941
2-cyclohexyl-1-(5-oxopyrrolidin-3-yl)guanidine
CID 106190225
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
(2S)-N-(thian-4-yl)piperidine-2-carboxamide
CID 103810217
(2R)-N-(thian-4-yl)piperidine-2-carboxamide
CID 103810216
N-(2-oxoazepan-3-yl)pyrrolidine-2-carboxamide
CID 43704078
(2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 130690073
(2R)-N-(3,5-dimethylcyclohexyl)piperidine-2-carboxamide
CID 103811701
(2R)-N-(2,6-dioxopiperidin-3-yl)pyrrolidine-2-carboxamide
CID 104901222
N-(4-methylsulfanylcyclohexyl)azepane-2-carboxamide
CID 114123094

Frequently Asked Questions

What is the IUPAC name of N-(5-oxopyrrolidin-3-yl)azepane-2-carboxamide?
The IUPAC name of N-(5-oxopyrrolidin-3-yl)azepane-2-carboxamide (CID 106187835) is N-(5-oxopyrrolidin-3-yl)azepane-2-carboxamide.
What is the SMILES notation for N-(5-oxopyrrolidin-3-yl)azepane-2-carboxamide?
The canonical SMILES for N-(5-oxopyrrolidin-3-yl)azepane-2-carboxamide is O=C1CC(NC(=O)C2CCCCCN2)CN1.
What is the InChIKey of N-(5-oxopyrrolidin-3-yl)azepane-2-carboxamide?
The InChIKey is FBCYLIRBCPGLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c15-10-6-8(7-13-10)14-11(16)9-4-2-1-3-5-12-9/h8-9,12H,1-7H2,(H,13,15)(H,14,16).
What are the key properties of N-(5-oxopyrrolidin-3-yl)azepane-2-carboxamide?
N-(5-oxopyrrolidin-3-yl)azepane-2-carboxamide has a molecular weight of 225.29 g/mol, XLogP of -0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxopyrrolidin-3-yl)azepane-2-carboxamide is sourced from PubChem (CID 106187835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).