1-cyclohexylidene-4-methylcyclopenta[b]indol-3-one

C18H19NO — CID 134906827

IUPAC1-cyclohexylidene-4-methylcyclopenta[b]indol-3-one
SMILESCn1c2c(c3ccccc31)C(=C1CCCCC1)CC2=O
InChIInChI=1S/C18H19NO/c1-19-15-10-6-5-9-13(15)17-14(11-16(20)18(17)19)12-7-3-2-4-8-12/h5-6,9-10H,2-4,7-8,11H2,1H3
InChIKeyZDAFVQIBQOITKW-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.48
Rot. Bonds

About 1-cyclohexylidene-4-methylcyclopenta[b]indol-3-one

1-cyclohexylidene-4-methylcyclopenta[b]indol-3-one (PubChem CID 134906827) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-cyclohexylidene-4-methylcyclopenta[b]indol-3-one.

Molecular Properties

Compound Name1-cyclohexylidene-4-methylcyclopenta[b]indol-3-one
PubChem CID134906827
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-cyclohexylidene-4-methylcyclopenta[b]indol-3-one
SMILESCn1c2c(c3ccccc31)C(=C1CCCCC1)CC2=O
InChIInChI=1S/C18H19NO/c1-19-15-10-6-5-9-13(15)17-14(11-16(20)18(17)19)12-7-3-2-4-8-12/h5-6,9-10H,2-4,7-8,11H2,1H3
InChIKeyZDAFVQIBQOITKW-UHFFFAOYSA-N
XLogP4.48
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 74468
CID 74468
CID 44397502
CID 44397502
CID 285865
CID 285865
CID 607984
CID 607984
CID 118796466
CID 118796466
CID 44397436
CID 44397436
CID 44397465
CID 44397465
CID 44397635
CID 44397635
CID 610666
CID 610666
CID 598875
CID 598875
CID 44397406
CID 44397406
CID 44397542
CID 44397542

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylidene-4-methylcyclopenta[b]indol-3-one?
The IUPAC name of 1-cyclohexylidene-4-methylcyclopenta[b]indol-3-one (CID 134906827) is 1-cyclohexylidene-4-methylcyclopenta[b]indol-3-one.
What is the SMILES notation for 1-cyclohexylidene-4-methylcyclopenta[b]indol-3-one?
The canonical SMILES for 1-cyclohexylidene-4-methylcyclopenta[b]indol-3-one is Cn1c2c(c3ccccc31)C(=C1CCCCC1)CC2=O.
What is the InChIKey of 1-cyclohexylidene-4-methylcyclopenta[b]indol-3-one?
The InChIKey is ZDAFVQIBQOITKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-19-15-10-6-5-9-13(15)17-14(11-16(20)18(17)19)12-7-3-2-4-8-12/h5-6,9-10H,2-4,7-8,11H2,1H3.
What are the key properties of 1-cyclohexylidene-4-methylcyclopenta[b]indol-3-one?
1-cyclohexylidene-4-methylcyclopenta[b]indol-3-one has a molecular weight of 265.36 g/mol, XLogP of 4.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylidene-4-methylcyclopenta[b]indol-3-one is sourced from PubChem (CID 134906827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).