7,7-dimethyl-1H-azepin-2-one

C8H11NO — CID 67757017

IUPAC7,7-dimethyl-1H-azepin-2-one
SMILESCC1(C)C=CC=CC(=O)N1
InChIInChI=1S/C8H11NO/c1-8(2)6-4-3-5-7(10)9-8/h3-6H,1-2H3,(H,9,10)
InChIKeyGBEJCOSDTJFQMI-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.01
Rot. Bonds

About 7,7-dimethyl-1H-azepin-2-one

7,7-dimethyl-1H-azepin-2-one (PubChem CID 67757017) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 7,7-dimethyl-1H-azepin-2-one.

Molecular Properties

Compound Name7,7-dimethyl-1H-azepin-2-one
PubChem CID67757017
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name7,7-dimethyl-1H-azepin-2-one
SMILESCC1(C)C=CC=CC(=O)N1
InChIInChI=1S/C8H11NO/c1-8(2)6-4-3-5-7(10)9-8/h3-6H,1-2H3,(H,9,10)
InChIKeyGBEJCOSDTJFQMI-UHFFFAOYSA-N
XLogP1.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1H-azepin-2-one?
The IUPAC name of 7,7-dimethyl-1H-azepin-2-one (CID 67757017) is 7,7-dimethyl-1H-azepin-2-one.
What is the SMILES notation for 7,7-dimethyl-1H-azepin-2-one?
The canonical SMILES for 7,7-dimethyl-1H-azepin-2-one is CC1(C)C=CC=CC(=O)N1.
What is the InChIKey of 7,7-dimethyl-1H-azepin-2-one?
The InChIKey is GBEJCOSDTJFQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-8(2)6-4-3-5-7(10)9-8/h3-6H,1-2H3,(H,9,10).
What are the key properties of 7,7-dimethyl-1H-azepin-2-one?
7,7-dimethyl-1H-azepin-2-one has a molecular weight of 137.18 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1H-azepin-2-one is sourced from PubChem (CID 67757017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).