7-methyl-3,4,5,5a,6,7-hexahydro-2H-cyclopenta[b]azepin-8-one

C10H15NO — CID 91252181

IUPAC7-methyl-3,4,5,5a,6,7-hexahydro-2H-cyclopenta[b]azepin-8-one
SMILESCC1CC2CCCCN=C2C1=O
InChIInChI=1S/C10H15NO/c1-7-6-8-4-2-3-5-11-9(8)10(7)12/h7-8H,2-6H2,1H3
InChIKeyLZDMUEAHXHZMBE-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.84
Rot. Bonds

About 7-methyl-3,4,5,5a,6,7-hexahydro-2H-cyclopenta[b]azepin-8-one

7-methyl-3,4,5,5a,6,7-hexahydro-2H-cyclopenta[b]azepin-8-one (PubChem CID 91252181) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 7-methyl-3,4,5,5a,6,7-hexahydro-2H-cyclopenta[b]azepin-8-one.

Molecular Properties

Compound Name7-methyl-3,4,5,5a,6,7-hexahydro-2H-cyclopenta[b]azepin-8-one
PubChem CID91252181
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name7-methyl-3,4,5,5a,6,7-hexahydro-2H-cyclopenta[b]azepin-8-one
SMILESCC1CC2CCCCN=C2C1=O
InChIInChI=1S/C10H15NO/c1-7-6-8-4-2-3-5-11-9(8)10(7)12/h7-8H,2-6H2,1H3
InChIKeyLZDMUEAHXHZMBE-UHFFFAOYSA-N
XLogP1.84
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Azabicyclo[4,3,0]nonen-8-one
CID 129696945
(4R)-4-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-2,5-dimethylhexan-3-one
CID 59615837
(4S)-4-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-2,5-dimethylhexan-3-one
CID 59615868
2,7-dimethyl-1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)decane-1,8-dione
CID 91381379
1-(4,5-Dimethyl-2,3,4,5,6,7,8,9-octahydroazecin-10-yl)propan-2-one
CID 123726120
3-Ethyl-7-methyl-2,3,5,6-tetrahydroazepin-4-one
CID 123754368
1-[(2S)-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]ethanone
CID 129198855
cyclopentyl-(3-methyl-2H-azirin-2-yl)methanone
CID 146353359
(4R)-4-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-2,2,5-trimethylhexan-3-one
CID 149575909
(4S)-4-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-2,2,5-trimethylhexan-3-one
CID 149575910
4-(6-Methyl-2,3,4,5-tetrahydropyridin-4-yl)butan-2-one
CID 166899000
2,4-bis(3,4-dihydro-2H-pyrrol-5-yl)pentan-3-one
CID 174671207

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4,5,5a,6,7-hexahydro-2H-cyclopenta[b]azepin-8-one?
The IUPAC name of 7-methyl-3,4,5,5a,6,7-hexahydro-2H-cyclopenta[b]azepin-8-one (CID 91252181) is 7-methyl-3,4,5,5a,6,7-hexahydro-2H-cyclopenta[b]azepin-8-one.
What is the SMILES notation for 7-methyl-3,4,5,5a,6,7-hexahydro-2H-cyclopenta[b]azepin-8-one?
The canonical SMILES for 7-methyl-3,4,5,5a,6,7-hexahydro-2H-cyclopenta[b]azepin-8-one is CC1CC2CCCCN=C2C1=O.
What is the InChIKey of 7-methyl-3,4,5,5a,6,7-hexahydro-2H-cyclopenta[b]azepin-8-one?
The InChIKey is LZDMUEAHXHZMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-6-8-4-2-3-5-11-9(8)10(7)12/h7-8H,2-6H2,1H3.
What are the key properties of 7-methyl-3,4,5,5a,6,7-hexahydro-2H-cyclopenta[b]azepin-8-one?
7-methyl-3,4,5,5a,6,7-hexahydro-2H-cyclopenta[b]azepin-8-one has a molecular weight of 165.24 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4,5,5a,6,7-hexahydro-2H-cyclopenta[b]azepin-8-one is sourced from PubChem (CID 91252181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).