azepine-1-carboxamide

C7H8N2O — CID 21247429

IUPACazepine-1-carboxamide
SMILESNC(=O)N1C=CC=CC=C1
InChIInChI=1S/C7H8N2O/c8-7(10)9-5-3-1-2-4-6-9/h1-6H,(H2,8,10)
InChIKeyWYVODKWLXXDREA-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.96
Rot. Bonds

About azepine-1-carboxamide

azepine-1-carboxamide (PubChem CID 21247429) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is azepine-1-carboxamide.

Molecular Properties

Compound Nameazepine-1-carboxamide
PubChem CID21247429
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Nameazepine-1-carboxamide
SMILESNC(=O)N1C=CC=CC=C1
InChIInChI=1S/C7H8N2O/c8-7(10)9-5-3-1-2-4-6-9/h1-6H,(H2,8,10)
InChIKeyWYVODKWLXXDREA-UHFFFAOYSA-N
XLogP0.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azepine-1-carboxamide?
The IUPAC name of azepine-1-carboxamide (CID 21247429) is azepine-1-carboxamide.
What is the SMILES notation for azepine-1-carboxamide?
The canonical SMILES for azepine-1-carboxamide is NC(=O)N1C=CC=CC=C1.
What is the InChIKey of azepine-1-carboxamide?
The InChIKey is WYVODKWLXXDREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c8-7(10)9-5-3-1-2-4-6-9/h1-6H,(H2,8,10).
What are the key properties of azepine-1-carboxamide?
azepine-1-carboxamide has a molecular weight of 136.15 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepine-1-carboxamide is sourced from PubChem (CID 21247429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).