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

C16H15NO2 — CID 139810045

IUPAC9-ethoxy-5-methylcyclohepta[b]indol-6-one
SMILESCCOc1ccc(=O)c2c(c1)c1ccccc1n2C
InChIInChI=1S/C16H15NO2/c1-3-19-11-8-9-15(18)16-13(10-11)12-6-4-5-7-14(12)17(16)2/h4-10H,3H2,1-2H3
InChIKeyNHSZCFUVXUVBBX-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.09
Rot. Bonds2

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

9-ethoxy-5-methylcyclohepta[b]indol-6-one (PubChem CID 139810045) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 9-ethoxy-5-methylcyclohepta[b]indol-6-one.

Molecular Properties

Compound Name9-ethoxy-5-methylcyclohepta[b]indol-6-one
PubChem CID139810045
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name9-ethoxy-5-methylcyclohepta[b]indol-6-one
SMILESCCOc1ccc(=O)c2c(c1)c1ccccc1n2C
InChIInChI=1S/C16H15NO2/c1-3-19-11-8-9-15(18)16-13(10-11)12-6-4-5-7-14(12)17(16)2/h4-10H,3H2,1-2H3
InChIKeyNHSZCFUVXUVBBX-UHFFFAOYSA-N
XLogP3.09
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-methoxy-5-methylcyclohepta[b]indol-6-one
CID 10561977
9-methoxy-5-propan-2-ylcyclohepta[b]indol-6-one
CID 139810032
1-ethyl-9-methylcarbazole
CID 21455608
3-ethoxy-5-methylbenzo[b]carbazole-6,11-dione
CID 71416409
10-methyl-2-(2-pyrrol-1-ylethoxy)acridin-9-one
CID 70576800
2-chloro-5-ethoxy-1-methylindole-3-carbaldehyde
CID 82268916
3-bromo-2-ethoxy-9-methylcarbazole
CID 153297247
2-ethoxythioxanthen-9-one
CID 14150410
2-ethoxyxanthen-9-one
CID 14150405
[3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid
CID 178181472
2-(5-ethoxy-1,2-dimethylindol-3-yl)acetonitrile
CID 82494814
2-ethyl-1-methylquinolin-4-one
CID 15733010

Frequently Asked Questions

What is the IUPAC name of 9-ethoxy-5-methylcyclohepta[b]indol-6-one?
The IUPAC name of 9-ethoxy-5-methylcyclohepta[b]indol-6-one (CID 139810045) is 9-ethoxy-5-methylcyclohepta[b]indol-6-one.
What is the SMILES notation for 9-ethoxy-5-methylcyclohepta[b]indol-6-one?
The canonical SMILES for 9-ethoxy-5-methylcyclohepta[b]indol-6-one is CCOc1ccc(=O)c2c(c1)c1ccccc1n2C.
What is the InChIKey of 9-ethoxy-5-methylcyclohepta[b]indol-6-one?
The InChIKey is NHSZCFUVXUVBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-3-19-11-8-9-15(18)16-13(10-11)12-6-4-5-7-14(12)17(16)2/h4-10H,3H2,1-2H3.
What are the key properties of 9-ethoxy-5-methylcyclohepta[b]indol-6-one?
9-ethoxy-5-methylcyclohepta[b]indol-6-one has a molecular weight of 253.30 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethoxy-5-methylcyclohepta[b]indol-6-one is sourced from PubChem (CID 139810045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).