9-methoxy-5-propan-2-ylcyclohepta[b]indol-6-one

C17H17NO2 — CID 139810032

IUPAC9-methoxy-5-propan-2-ylcyclohepta[b]indol-6-one
SMILESCOc1ccc(=O)c2c(c1)c1ccccc1n2C(C)C
InChIInChI=1S/C17H17NO2/c1-11(2)18-15-7-5-4-6-13(15)14-10-12(20-3)8-9-16(19)17(14)18/h4-11H,1-3H3
InChIKeyXTBSEBWSPWGXQS-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.74
Rot. Bonds2

About 9-methoxy-5-propan-2-ylcyclohepta[b]indol-6-one

9-methoxy-5-propan-2-ylcyclohepta[b]indol-6-one (PubChem CID 139810032) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 9-methoxy-5-propan-2-ylcyclohepta[b]indol-6-one.

Molecular Properties

Compound Name9-methoxy-5-propan-2-ylcyclohepta[b]indol-6-one
PubChem CID139810032
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name9-methoxy-5-propan-2-ylcyclohepta[b]indol-6-one
SMILESCOc1ccc(=O)c2c(c1)c1ccccc1n2C(C)C
InChIInChI=1S/C17H17NO2/c1-11(2)18-15-7-5-4-6-13(15)14-10-12(20-3)8-9-16(19)17(14)18/h4-11H,1-3H3
InChIKeyXTBSEBWSPWGXQS-UHFFFAOYSA-N
XLogP3.74
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.74
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-ethoxy-5-methylcyclohepta[b]indol-6-one
CID 139810045
3-methoxy-9-(trifluoromethyl)carbazole
CID 153297232
11-propan-2-ylbenzo[a]carbazole
CID 118058944
2,5-dimethoxyphenanthridin-6-one
CID 134964837
4-methoxy-N-(4-methoxyphenyl)-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline
CID 22900228
9-propan-2-yl-2-(9-propan-2-ylcarbazol-2-yl)carbazole
CID 170205010
ethane;(2Z,4Z)-hexa-2,4-diene;9-propan-2-ylcarbazole
CID 165044718
(5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine
CID 83860104
1-(4-methoxyphenoxy)quinolin-4-one
CID 86063694
1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-(3-methoxyphenyl)thiourea
CID 135763311
6-propan-2-ylbenzo[c][2,7]naphthyridin-5-one
CID 154465601

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-5-propan-2-ylcyclohepta[b]indol-6-one?
The IUPAC name of 9-methoxy-5-propan-2-ylcyclohepta[b]indol-6-one (CID 139810032) is 9-methoxy-5-propan-2-ylcyclohepta[b]indol-6-one.
What is the SMILES notation for 9-methoxy-5-propan-2-ylcyclohepta[b]indol-6-one?
The canonical SMILES for 9-methoxy-5-propan-2-ylcyclohepta[b]indol-6-one is COc1ccc(=O)c2c(c1)c1ccccc1n2C(C)C.
What is the InChIKey of 9-methoxy-5-propan-2-ylcyclohepta[b]indol-6-one?
The InChIKey is XTBSEBWSPWGXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11(2)18-15-7-5-4-6-13(15)14-10-12(20-3)8-9-16(19)17(14)18/h4-11H,1-3H3.
What are the key properties of 9-methoxy-5-propan-2-ylcyclohepta[b]indol-6-one?
9-methoxy-5-propan-2-ylcyclohepta[b]indol-6-one has a molecular weight of 267.33 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-5-propan-2-ylcyclohepta[b]indol-6-one is sourced from PubChem (CID 139810032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).