6-cyclohexyl-9-methyl-3,4-dihydro-2H-carbazol-1-one

C19H23NO — CID 535444

IUPAC6-cyclohexyl-9-methyl-3,4-dihydro-2H-carbazol-1-one
SMILESCn1c2c(c3cc(C4CCCCC4)ccc31)CCCC2=O
InChIInChI=1S/C19H23NO/c1-20-17-11-10-14(13-6-3-2-4-7-13)12-16(17)15-8-5-9-18(21)19(15)20/h10-13H,2-9H2,1H3
InChIKeyCZGITVUYPOAWIN-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.74
Rot. Bonds1

About 6-cyclohexyl-9-methyl-3,4-dihydro-2H-carbazol-1-one

6-cyclohexyl-9-methyl-3,4-dihydro-2H-carbazol-1-one (PubChem CID 535444) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-cyclohexyl-9-methyl-3,4-dihydro-2H-carbazol-1-one.

Molecular Properties

Compound Name6-cyclohexyl-9-methyl-3,4-dihydro-2H-carbazol-1-one
PubChem CID535444
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name6-cyclohexyl-9-methyl-3,4-dihydro-2H-carbazol-1-one
SMILESCn1c2c(c3cc(C4CCCCC4)ccc31)CCCC2=O
InChIInChI=1S/C19H23NO/c1-20-17-11-10-14(13-6-3-2-4-7-13)12-16(17)15-8-5-9-18(21)19(15)20/h10-13H,2-9H2,1H3
InChIKeyCZGITVUYPOAWIN-UHFFFAOYSA-N
XLogP4.74
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-9-methyl-3,4-dihydro-2H-carbazol-1-one?
The IUPAC name of 6-cyclohexyl-9-methyl-3,4-dihydro-2H-carbazol-1-one (CID 535444) is 6-cyclohexyl-9-methyl-3,4-dihydro-2H-carbazol-1-one.
What is the SMILES notation for 6-cyclohexyl-9-methyl-3,4-dihydro-2H-carbazol-1-one?
The canonical SMILES for 6-cyclohexyl-9-methyl-3,4-dihydro-2H-carbazol-1-one is Cn1c2c(c3cc(C4CCCCC4)ccc31)CCCC2=O.
What is the InChIKey of 6-cyclohexyl-9-methyl-3,4-dihydro-2H-carbazol-1-one?
The InChIKey is CZGITVUYPOAWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-20-17-11-10-14(13-6-3-2-4-7-13)12-16(17)15-8-5-9-18(21)19(15)20/h10-13H,2-9H2,1H3.
What are the key properties of 6-cyclohexyl-9-methyl-3,4-dihydro-2H-carbazol-1-one?
6-cyclohexyl-9-methyl-3,4-dihydro-2H-carbazol-1-one has a molecular weight of 281.40 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-9-methyl-3,4-dihydro-2H-carbazol-1-one is sourced from PubChem (CID 535444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).