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

C15H12FNO2 — CID 139810054

IUPAC1-fluoro-9-methoxy-5-methylcyclohepta[b]indol-6-one
SMILESCOc1ccc(=O)c2c(c1)c1c(F)cccc1n2C
InChIInChI=1S/C15H12FNO2/c1-17-12-5-3-4-11(16)14(12)10-8-9(19-2)6-7-13(18)15(10)17/h3-8H,1-2H3
InChIKeyFMIVSKOYWLYHHY-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.84
Rot. Bonds1

About 1-fluoro-9-methoxy-5-methylcyclohepta[b]indol-6-one

1-fluoro-9-methoxy-5-methylcyclohepta[b]indol-6-one (PubChem CID 139810054) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 1-fluoro-9-methoxy-5-methylcyclohepta[b]indol-6-one.

Molecular Properties

Compound Name1-fluoro-9-methoxy-5-methylcyclohepta[b]indol-6-one
PubChem CID139810054
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name1-fluoro-9-methoxy-5-methylcyclohepta[b]indol-6-one
SMILESCOc1ccc(=O)c2c(c1)c1c(F)cccc1n2C
InChIInChI=1S/C15H12FNO2/c1-17-12-5-3-4-11(16)14(12)10-8-9(19-2)6-7-13(18)15(10)17/h3-8H,1-2H3
InChIKeyFMIVSKOYWLYHHY-UHFFFAOYSA-N
XLogP2.84
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 598875
2,3-dihydro-9-methyl-1H-pyrrolo[1,2-a]indol-1-one
CID 2739865
1-Methylindole-2-carboxaldehyde
CID 267164
9-acetyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
CID 853608
1-(1,3-Dimethyl-1H-indol-2-yl)butan-1-one
CID 874753
Ethanone, 1-(1,3-dimethyl-1H-indol-2-yl)-
CID 599118
Indole-3-glyoxylamide, 1-ethyl-N,N,2-trimethyl-
CID 58132
Indole-3-glyoxylamide, N,N,1,2-tetramethyl-
CID 59158
1,3-dimethyl-1H-indole-2-carbaldehyde
CID 2771468
2-(diethylaminomethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one
CID 25268887
Cambridge id 5100145
CID 711529
6,9-dimethyl-3,4-dihydro-2H-carbazol-1-one
CID 684308

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-9-methoxy-5-methylcyclohepta[b]indol-6-one?
The IUPAC name of 1-fluoro-9-methoxy-5-methylcyclohepta[b]indol-6-one (CID 139810054) is 1-fluoro-9-methoxy-5-methylcyclohepta[b]indol-6-one.
What is the SMILES notation for 1-fluoro-9-methoxy-5-methylcyclohepta[b]indol-6-one?
The canonical SMILES for 1-fluoro-9-methoxy-5-methylcyclohepta[b]indol-6-one is COc1ccc(=O)c2c(c1)c1c(F)cccc1n2C.
What is the InChIKey of 1-fluoro-9-methoxy-5-methylcyclohepta[b]indol-6-one?
The InChIKey is FMIVSKOYWLYHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c1-17-12-5-3-4-11(16)14(12)10-8-9(19-2)6-7-13(18)15(10)17/h3-8H,1-2H3.
What are the key properties of 1-fluoro-9-methoxy-5-methylcyclohepta[b]indol-6-one?
1-fluoro-9-methoxy-5-methylcyclohepta[b]indol-6-one has a molecular weight of 257.26 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-9-methoxy-5-methylcyclohepta[b]indol-6-one is sourced from PubChem (CID 139810054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).