Azane;azepin-2-one

C6H8N2O — CID 18360059

IUPACazane;azepin-2-one
SMILESC1=CC=NC(=O)C=C1.N
InChIInChI=1S/C6H5NO.H3N/c8-6-4-2-1-3-5-7-6;/h1-5H;1H3
InChIKeyRNIVGRCJGOZSIS-UHFFFAOYSA-N
MW124.14 g/mol
LogP—
Rot. Bonds

About Azane;azepin-2-one

Azane;azepin-2-one (PubChem CID 18360059) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is azane;azepin-2-one.

Molecular Properties

Compound NameAzane;azepin-2-one
PubChem CID18360059
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Nameazane;azepin-2-one
SMILESC1=CC=NC(=O)C=C1.N
InChIInChI=1S/C6H5NO.H3N/c8-6-4-2-1-3-5-7-6;/h1-5H;1H3
InChIKeyRNIVGRCJGOZSIS-UHFFFAOYSA-N
XLogP—
TPSA30.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity177

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Azepinone
CID 17856120
Azoninone
CID 23322754
1,3-Diazepin-4-one
CID 57131110
Azonin-2-one
CID 74031286
3-Methylazepin-2-one
CID 90904257
Azepin-2-one hydrobromide
CID 129655840
Hydro-2h-azonin-2-one hydrochloride
CID 129655914
Bis(azepin-2-one);hydrochloride
CID 17856119
4-Acetyliminobut-2-enamide
CID 57165197
Azepin-2-one;hydrochloride
CID 140176494
2H-azepine-6-carboxamide
CID 141039340
3-Chloroazepin-2-one
CID 141353009

Frequently Asked Questions

What is the IUPAC name of Azane;azepin-2-one?
The IUPAC name of Azane;azepin-2-one (CID 18360059) is azane;azepin-2-one.
What is the SMILES notation for Azane;azepin-2-one?
The canonical SMILES for Azane;azepin-2-one is C1=CC=NC(=O)C=C1.N.
What is the InChIKey of Azane;azepin-2-one?
The InChIKey is RNIVGRCJGOZSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO.H3N/c8-6-4-2-1-3-5-7-6;/h1-5H;1H3.
What are the key properties of Azane;azepin-2-one?
Azane;azepin-2-one has a molecular weight of 124.14 g/mol, XLogP of not available, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Azane;azepin-2-one is sourced from PubChem (CID 18360059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).