7-amino-7-methyl-1H-azepin-2-one

C7H10N2O — CID 90959063

IUPAC7-amino-7-methyl-1H-azepin-2-one
SMILESCC1(N)C=CC=CC(=O)N1
InChIInChI=1S/C7H10N2O/c1-7(8)5-3-2-4-6(10)9-7/h2-5H,8H2,1H3,(H,9,10)
InChIKeyLFRWKXNNUYIHJY-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.10
Rot. Bonds

About 7-amino-7-methyl-1H-azepin-2-one

7-amino-7-methyl-1H-azepin-2-one (PubChem CID 90959063) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 7-amino-7-methyl-1H-azepin-2-one.

Molecular Properties

Compound Name7-amino-7-methyl-1H-azepin-2-one
PubChem CID90959063
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name7-amino-7-methyl-1H-azepin-2-one
SMILESCC1(N)C=CC=CC(=O)N1
InChIInChI=1S/C7H10N2O/c1-7(8)5-3-2-4-6(10)9-7/h2-5H,8H2,1H3,(H,9,10)
InChIKeyLFRWKXNNUYIHJY-UHFFFAOYSA-N
XLogP-0.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-amino-7-methyl-1H-azepin-2-one?
The IUPAC name of 7-amino-7-methyl-1H-azepin-2-one (CID 90959063) is 7-amino-7-methyl-1H-azepin-2-one.
What is the SMILES notation for 7-amino-7-methyl-1H-azepin-2-one?
The canonical SMILES for 7-amino-7-methyl-1H-azepin-2-one is CC1(N)C=CC=CC(=O)N1.
What is the InChIKey of 7-amino-7-methyl-1H-azepin-2-one?
The InChIKey is LFRWKXNNUYIHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-7(8)5-3-2-4-6(10)9-7/h2-5H,8H2,1H3,(H,9,10).
What are the key properties of 7-amino-7-methyl-1H-azepin-2-one?
7-amino-7-methyl-1H-azepin-2-one has a molecular weight of 138.17 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-7-methyl-1H-azepin-2-one is sourced from PubChem (CID 90959063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).