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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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).