5,10-dimethyl-6-phenyl-9,10-dihydrocyclohepta[b]indol-8-one

C21H19NO — CID 135069826

IUPAC5,10-dimethyl-6-phenyl-9,10-dihydrocyclohepta[b]indol-8-one
SMILESCC1CC(=O)C=C(c2ccccc2)c2c1c1ccccc1n2C
InChIInChI=1S/C21H19NO/c1-14-12-16(23)13-18(15-8-4-3-5-9-15)21-20(14)17-10-6-7-11-19(17)22(21)2/h3-11,13-14H,12H2,1-2H3
InChIKeyUECPDRWEHKMOKK-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.69
Rot. Bonds1

About 5,10-dimethyl-6-phenyl-9,10-dihydrocyclohepta[b]indol-8-one

5,10-dimethyl-6-phenyl-9,10-dihydrocyclohepta[b]indol-8-one (PubChem CID 135069826) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 5,10-dimethyl-6-phenyl-9,10-dihydrocyclohepta[b]indol-8-one.

Molecular Properties

Compound Name5,10-dimethyl-6-phenyl-9,10-dihydrocyclohepta[b]indol-8-one
PubChem CID135069826
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name5,10-dimethyl-6-phenyl-9,10-dihydrocyclohepta[b]indol-8-one
SMILESCC1CC(=O)C=C(c2ccccc2)c2c1c1ccccc1n2C
InChIInChI=1S/C21H19NO/c1-14-12-16(23)13-18(15-8-4-3-5-9-15)21-20(14)17-10-6-7-11-19(17)22(21)2/h3-11,13-14H,12H2,1-2H3
InChIKeyUECPDRWEHKMOKK-UHFFFAOYSA-N
XLogP4.69
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,10-dimethyl-6-phenyl-9,10-dihydro-5H-cyclohepta[b]indol-8-one
CID 135069644
1-methyl-2,3-diphenylindole
CID 11426096
(4R)-4-methyl-3-phenylcyclopent-2-en-1-one
CID 100920328
3-bromo-1-methyl-4-phenylquinolin-2-one
CID 50999162
3-bromo-2,10-dimethyl-3,4-dihydroazepino[3,4-b]indole-1,5-dione
CID 154270514
(1S,12S)-9,20-dimethyl-9,20-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-2(10),3,5,7,13(21),14,16,18-octaene
CID 102058604
1-methyl-2-phenylindole-3-carboxylic acid
CID 8899719
(1S)-1-(furan-2-yl)-4-methyl-1,2-dihydrocyclopenta[b]indol-3-one
CID 177465545
1-methyl-3-methylsulfonyl-2-phenylindole
CID 102275352
(3S)-3-(1-methyl-2-phenylindol-3-yl)-2-propyl-3H-isoindol-1-one
CID 41066022
(3S)-3-(1-methyl-2-phenylindol-3-yl)-2-[(1S)-1-phenylethyl]-3H-isoindol-1-one
CID 41031712
(3S)-3-(1-methyl-2-phenylindol-3-yl)-2-[(1R)-1-phenylethyl]-3H-isoindol-1-one
CID 41031713

Frequently Asked Questions

What is the IUPAC name of 5,10-dimethyl-6-phenyl-9,10-dihydrocyclohepta[b]indol-8-one?
The IUPAC name of 5,10-dimethyl-6-phenyl-9,10-dihydrocyclohepta[b]indol-8-one (CID 135069826) is 5,10-dimethyl-6-phenyl-9,10-dihydrocyclohepta[b]indol-8-one.
What is the SMILES notation for 5,10-dimethyl-6-phenyl-9,10-dihydrocyclohepta[b]indol-8-one?
The canonical SMILES for 5,10-dimethyl-6-phenyl-9,10-dihydrocyclohepta[b]indol-8-one is CC1CC(=O)C=C(c2ccccc2)c2c1c1ccccc1n2C.
What is the InChIKey of 5,10-dimethyl-6-phenyl-9,10-dihydrocyclohepta[b]indol-8-one?
The InChIKey is UECPDRWEHKMOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-14-12-16(23)13-18(15-8-4-3-5-9-15)21-20(14)17-10-6-7-11-19(17)22(21)2/h3-11,13-14H,12H2,1-2H3.
What are the key properties of 5,10-dimethyl-6-phenyl-9,10-dihydrocyclohepta[b]indol-8-one?
5,10-dimethyl-6-phenyl-9,10-dihydrocyclohepta[b]indol-8-one has a molecular weight of 301.39 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dimethyl-6-phenyl-9,10-dihydrocyclohepta[b]indol-8-one is sourced from PubChem (CID 135069826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).