3-methyl-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-1-one

C11H15NO — CID 163969307

IUPAC3-methyl-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-1-one
SMILESCc1cc2c(c(=O)[nH]1)CCCCC2
InChIInChI=1S/C11H15NO/c1-8-7-9-5-3-2-4-6-10(9)11(13)12-8/h7H,2-6H2,1H3,(H,12,13)
InChIKeySOPFBPRVFCFOTH-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.95
Rot. Bonds

About 3-methyl-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-1-one

3-methyl-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-1-one (PubChem CID 163969307) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-methyl-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-1-one.

Molecular Properties

Compound Name3-methyl-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-1-one
PubChem CID163969307
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-methyl-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-1-one
SMILESCc1cc2c(c(=O)[nH]1)CCCCC2
InChIInChI=1S/C11H15NO/c1-8-7-9-5-3-2-4-6-10(9)11(13)12-8/h7H,2-6H2,1H3,(H,12,13)
InChIKeySOPFBPRVFCFOTH-UHFFFAOYSA-N
XLogP1.95
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one
CID 146432464
1-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-3-carboxamide
CID 67476667
2-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole
CID 11819082
3,6-dimethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one
CID 71408696
2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 12798227
2-methyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975246
18-[ethyl(oxan-4-yl)amino]-8-methyl-3,7-diazatricyclo[15.4.0.05,10]henicosa-1(17),5(10),8,18,20-pentaene-2,6-dione
CID 86343378
2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole
CID 172623300
1-propan-2-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
CID 112757216
18-hydroxy-17-methyl-16-azabicyclo[12.3.1]octadeca-1(17),14(18)-dien-15-one
CID 102275952
1-hydroxy-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
CID 54751722
ethane;2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole
CID 172623299

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-1-one?
The IUPAC name of 3-methyl-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-1-one (CID 163969307) is 3-methyl-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-1-one.
What is the SMILES notation for 3-methyl-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-1-one?
The canonical SMILES for 3-methyl-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-1-one is Cc1cc2c(c(=O)[nH]1)CCCCC2.
What is the InChIKey of 3-methyl-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-1-one?
The InChIKey is SOPFBPRVFCFOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-7-9-5-3-2-4-6-10(9)11(13)12-8/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of 3-methyl-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-1-one?
3-methyl-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-1-one has a molecular weight of 177.25 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-1-one is sourced from PubChem (CID 163969307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).