4,4-dimethyl-3,5-dihydro-1H-azepin-2-one

C8H13NO — CID 10261164

IUPAC4,4-dimethyl-3,5-dihydro-1H-azepin-2-one
SMILESCC1(C)CC=CNC(=O)C1
InChIInChI=1S/C8H13NO/c1-8(2)4-3-5-9-7(10)6-8/h3,5H,4,6H2,1-2H3,(H,9,10)
InChIKeyBLEUIYLSHIIYOP-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.44
Rot. Bonds

About 4,4-dimethyl-3,5-dihydro-1H-azepin-2-one

4,4-dimethyl-3,5-dihydro-1H-azepin-2-one (PubChem CID 10261164) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4,4-dimethyl-3,5-dihydro-1H-azepin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-3,5-dihydro-1H-azepin-2-one
PubChem CID10261164
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4,4-dimethyl-3,5-dihydro-1H-azepin-2-one
SMILESCC1(C)CC=CNC(=O)C1
InChIInChI=1S/C8H13NO/c1-8(2)4-3-5-9-7(10)6-8/h3,5H,4,6H2,1-2H3,(H,9,10)
InChIKeyBLEUIYLSHIIYOP-UHFFFAOYSA-N
XLogP1.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,6-trimethyl-3,5-dihydro-1H-azepin-2-one
CID 336739
2H-Azepin-2-one, 1,3,4,5-tetrahydro-
CID 11194306
3,4-Dihydro-4,4-dimethyl-2(1H)-pyridinone
CID 13589957
4-propan-2-yl-3,4-dihydro-1H-pyridin-2-one
CID 55299848
Diathyldioxotetrahydropyridin
CID 129643403
(3R,4S)-3,4-bis(prop-2-enyl)-3,4-dihydro-1H-pyridin-2-one
CID 135040576
1,4,4-trimethyl-3,5-dihydro-1H-azepin-2-one
CID 12352787
N-but-1-enyl-1,2,2,3,3-pentamethylcyclopropane-1-carboxamide
CID 59370619
4,4-Ditert-butyl-1,3-dihydropyridin-2-one
CID 59555072
3,3-Ditert-butyl-1,4-dihydropyridin-2-one
CID 59555261
3-ethyl-3,4-dihydro-1H-pyridin-2-one
CID 85768380
3,4-ditert-butyl-3,4-dihydro-1H-pyridin-2-one
CID 90224690

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3,5-dihydro-1H-azepin-2-one?
The IUPAC name of 4,4-dimethyl-3,5-dihydro-1H-azepin-2-one (CID 10261164) is 4,4-dimethyl-3,5-dihydro-1H-azepin-2-one.
What is the SMILES notation for 4,4-dimethyl-3,5-dihydro-1H-azepin-2-one?
The canonical SMILES for 4,4-dimethyl-3,5-dihydro-1H-azepin-2-one is CC1(C)CC=CNC(=O)C1.
What is the InChIKey of 4,4-dimethyl-3,5-dihydro-1H-azepin-2-one?
The InChIKey is BLEUIYLSHIIYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-8(2)4-3-5-9-7(10)6-8/h3,5H,4,6H2,1-2H3,(H,9,10).
What are the key properties of 4,4-dimethyl-3,5-dihydro-1H-azepin-2-one?
4,4-dimethyl-3,5-dihydro-1H-azepin-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3,5-dihydro-1H-azepin-2-one is sourced from PubChem (CID 10261164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).