4H-azepine-4-carboxamide

C7H8N2O — CID 155733854

IUPAC4H-azepine-4-carboxamide
SMILESNC(=O)C1C=CC=NC=C1
InChIInChI=1S/C7H8N2O/c8-7(10)6-2-1-4-9-5-3-6/h1-6H,(H2,8,10)
InChIKeyJJZSCVFWODZELN-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.24
Rot. Bonds1

About 4H-azepine-4-carboxamide

4H-azepine-4-carboxamide (PubChem CID 155733854) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 4H-azepine-4-carboxamide.

Molecular Properties

Compound Name4H-azepine-4-carboxamide
PubChem CID155733854
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name4H-azepine-4-carboxamide
SMILESNC(=O)C1C=CC=NC=C1
InChIInChI=1S/C7H8N2O/c8-7(10)6-2-1-4-9-5-3-6/h1-6H,(H2,8,10)
InChIKeyJJZSCVFWODZELN-UHFFFAOYSA-N
XLogP0.24
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4H-azepine-4-carboxamide?
The IUPAC name of 4H-azepine-4-carboxamide (CID 155733854) is 4H-azepine-4-carboxamide.
What is the SMILES notation for 4H-azepine-4-carboxamide?
The canonical SMILES for 4H-azepine-4-carboxamide is NC(=O)C1C=CC=NC=C1.
What is the InChIKey of 4H-azepine-4-carboxamide?
The InChIKey is JJZSCVFWODZELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c8-7(10)6-2-1-4-9-5-3-6/h1-6H,(H2,8,10).
What are the key properties of 4H-azepine-4-carboxamide?
4H-azepine-4-carboxamide has a molecular weight of 136.15 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-azepine-4-carboxamide is sourced from PubChem (CID 155733854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).