7-oxo-2H-azepine-1-carboxamide

C7H8N2O2 — CID 21101513

IUPAC7-oxo-2H-azepine-1-carboxamide
SMILESNC(=O)N1CC=CC=CC1=O
InChIInChI=1S/C7H8N2O2/c8-7(11)9-5-3-1-2-4-6(9)10/h1-4H,5H2,(H2,8,11)
InChIKeyVXZXDRBNVJJOPW-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.02
Rot. Bonds

About 7-oxo-2H-azepine-1-carboxamide

7-oxo-2H-azepine-1-carboxamide (PubChem CID 21101513) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 7-oxo-2H-azepine-1-carboxamide.

Molecular Properties

Compound Name7-oxo-2H-azepine-1-carboxamide
PubChem CID21101513
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name7-oxo-2H-azepine-1-carboxamide
SMILESNC(=O)N1CC=CC=CC1=O
InChIInChI=1S/C7H8N2O2/c8-7(11)9-5-3-1-2-4-6(9)10/h1-4H,5H2,(H2,8,11)
InChIKeyVXZXDRBNVJJOPW-UHFFFAOYSA-N
XLogP0.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-2H-azepine-1-carboxamide?
The IUPAC name of 7-oxo-2H-azepine-1-carboxamide (CID 21101513) is 7-oxo-2H-azepine-1-carboxamide.
What is the SMILES notation for 7-oxo-2H-azepine-1-carboxamide?
The canonical SMILES for 7-oxo-2H-azepine-1-carboxamide is NC(=O)N1CC=CC=CC1=O.
What is the InChIKey of 7-oxo-2H-azepine-1-carboxamide?
The InChIKey is VXZXDRBNVJJOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-7(11)9-5-3-1-2-4-6(9)10/h1-4H,5H2,(H2,8,11).
What are the key properties of 7-oxo-2H-azepine-1-carboxamide?
7-oxo-2H-azepine-1-carboxamide has a molecular weight of 152.15 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-2H-azepine-1-carboxamide is sourced from PubChem (CID 21101513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).