9-methoxy-5-methylcyclohepta[b]indol-6-one

C15H13NO2 — CID 10561977

IUPAC9-methoxy-5-methylcyclohepta[b]indol-6-one
SMILESCOc1ccc(=O)c2c(c1)c1ccccc1n2C
InChIInChI=1S/C15H13NO2/c1-16-13-6-4-3-5-11(13)12-9-10(18-2)7-8-14(17)15(12)16/h3-9H,1-2H3
InChIKeyGNKNQXQIIRGDLA-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.70
Rot. Bonds1

About 9-methoxy-5-methylcyclohepta[b]indol-6-one

9-methoxy-5-methylcyclohepta[b]indol-6-one (PubChem CID 10561977) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 9-methoxy-5-methylcyclohepta[b]indol-6-one.

Molecular Properties

Compound Name9-methoxy-5-methylcyclohepta[b]indol-6-one
PubChem CID10561977
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name9-methoxy-5-methylcyclohepta[b]indol-6-one
SMILESCOc1ccc(=O)c2c(c1)c1ccccc1n2C
InChIInChI=1S/C15H13NO2/c1-16-13-6-4-3-5-11(13)12-9-10(18-2)7-8-14(17)15(12)16/h3-9H,1-2H3
InChIKeyGNKNQXQIIRGDLA-UHFFFAOYSA-N
XLogP2.70
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-ethoxy-5-methylcyclohepta[b]indol-6-one
CID 139810045
9-methoxy-5-propan-2-ylcyclohepta[b]indol-6-one
CID 139810032
3-methoxy-9-(trifluoromethyl)carbazole
CID 153297232
7-methoxy-23-methyl-3-oxa-13,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
CID 165437373
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
2-(4-methoxybenzoyl)-1-methylquinolin-4-one
CID 15733027
8-methoxy-5-methylindeno[2,1-b]quinoline-6,11-dione
CID 122194430
3-(4-methoxyphenyl)-4-methylthieno[3,4-b]indole
CID 10493963
9-butyl-3-methoxycarbazole
CID 132503458
ethane;5-methoxy-1,2,3-trimethylindole
CID 143529502
3-(3-methoxycarbazol-9-yl)propan-1-amine
CID 153297207
2,5-dimethoxyphenanthridin-6-one
CID 134964837

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-5-methylcyclohepta[b]indol-6-one?
The IUPAC name of 9-methoxy-5-methylcyclohepta[b]indol-6-one (CID 10561977) is 9-methoxy-5-methylcyclohepta[b]indol-6-one.
What is the SMILES notation for 9-methoxy-5-methylcyclohepta[b]indol-6-one?
The canonical SMILES for 9-methoxy-5-methylcyclohepta[b]indol-6-one is COc1ccc(=O)c2c(c1)c1ccccc1n2C.
What is the InChIKey of 9-methoxy-5-methylcyclohepta[b]indol-6-one?
The InChIKey is GNKNQXQIIRGDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-16-13-6-4-3-5-11(13)12-9-10(18-2)7-8-14(17)15(12)16/h3-9H,1-2H3.
What are the key properties of 9-methoxy-5-methylcyclohepta[b]indol-6-one?
9-methoxy-5-methylcyclohepta[b]indol-6-one has a molecular weight of 239.27 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-5-methylcyclohepta[b]indol-6-one is sourced from PubChem (CID 10561977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).