4,10-dimethyl-6-phenyl-9,10-dihydro-5H-cyclohepta[b]indol-8-one

C21H19NO — CID 135069644

IUPAC4,10-dimethyl-6-phenyl-9,10-dihydro-5H-cyclohepta[b]indol-8-one
SMILESCc1cccc2c3c([nH]c12)C(c1ccccc1)=CC(=O)CC3C
InChIInChI=1S/C21H19NO/c1-13-7-6-10-17-19-14(2)11-16(23)12-18(21(19)22-20(13)17)15-8-4-3-5-9-15/h3-10,12,14,22H,11H2,1-2H3
InChIKeyHAVMEOJCJGDROQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.98
Rot. Bonds1

About 4,10-dimethyl-6-phenyl-9,10-dihydro-5H-cyclohepta[b]indol-8-one

4,10-dimethyl-6-phenyl-9,10-dihydro-5H-cyclohepta[b]indol-8-one (PubChem CID 135069644) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 4,10-dimethyl-6-phenyl-9,10-dihydro-5H-cyclohepta[b]indol-8-one.

Molecular Properties

Compound Name4,10-dimethyl-6-phenyl-9,10-dihydro-5H-cyclohepta[b]indol-8-one
PubChem CID135069644
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name4,10-dimethyl-6-phenyl-9,10-dihydro-5H-cyclohepta[b]indol-8-one
SMILESCc1cccc2c3c([nH]c12)C(c1ccccc1)=CC(=O)CC3C
InChIInChI=1S/C21H19NO/c1-13-7-6-10-17-19-14(2)11-16(23)12-18(21(19)22-20(13)17)15-8-4-3-5-9-15/h3-10,12,14,22H,11H2,1-2H3
InChIKeyHAVMEOJCJGDROQ-UHFFFAOYSA-N
XLogP4.98
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,10-dimethyl-6-phenyl-9,10-dihydro-5H-cyclohepta[b]indol-8-one?
The IUPAC name of 4,10-dimethyl-6-phenyl-9,10-dihydro-5H-cyclohepta[b]indol-8-one (CID 135069644) is 4,10-dimethyl-6-phenyl-9,10-dihydro-5H-cyclohepta[b]indol-8-one.
What is the SMILES notation for 4,10-dimethyl-6-phenyl-9,10-dihydro-5H-cyclohepta[b]indol-8-one?
The canonical SMILES for 4,10-dimethyl-6-phenyl-9,10-dihydro-5H-cyclohepta[b]indol-8-one is Cc1cccc2c3c([nH]c12)C(c1ccccc1)=CC(=O)CC3C.
What is the InChIKey of 4,10-dimethyl-6-phenyl-9,10-dihydro-5H-cyclohepta[b]indol-8-one?
The InChIKey is HAVMEOJCJGDROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-13-7-6-10-17-19-14(2)11-16(23)12-18(21(19)22-20(13)17)15-8-4-3-5-9-15/h3-10,12,14,22H,11H2,1-2H3.
What are the key properties of 4,10-dimethyl-6-phenyl-9,10-dihydro-5H-cyclohepta[b]indol-8-one?
4,10-dimethyl-6-phenyl-9,10-dihydro-5H-cyclohepta[b]indol-8-one has a molecular weight of 301.39 g/mol, XLogP of 4.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dimethyl-6-phenyl-9,10-dihydro-5H-cyclohepta[b]indol-8-one is sourced from PubChem (CID 135069644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).