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

C20H25NO — CID 1207842

IUPAC6-cyclohexyl-9-ethyl-3,4-dihydro-2H-carbazol-1-one
SMILESCCn1c2c(c3cc(C4CCCCC4)ccc31)CCCC2=O
InChIInChI=1S/C20H25NO/c1-2-21-18-12-11-15(14-7-4-3-5-8-14)13-17(18)16-9-6-10-19(22)20(16)21/h11-14H,2-10H2,1H3
InChIKeyFOJJKHPSQHETCP-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.23
Rot. Bonds2

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

6-cyclohexyl-9-ethyl-3,4-dihydro-2H-carbazol-1-one (PubChem CID 1207842) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 6-cyclohexyl-9-ethyl-3,4-dihydro-2H-carbazol-1-one.

Molecular Properties

Compound Name6-cyclohexyl-9-ethyl-3,4-dihydro-2H-carbazol-1-one
PubChem CID1207842
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name6-cyclohexyl-9-ethyl-3,4-dihydro-2H-carbazol-1-one
SMILESCCn1c2c(c3cc(C4CCCCC4)ccc31)CCCC2=O
InChIInChI=1S/C20H25NO/c1-2-21-18-12-11-15(14-7-4-3-5-8-14)13-17(18)16-9-6-10-19(22)20(16)21/h11-14H,2-10H2,1H3
InChIKeyFOJJKHPSQHETCP-UHFFFAOYSA-N
XLogP5.23
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.23
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-ethyl-3,4-dihydro-2H-carbazol-1-one?
The IUPAC name of 6-cyclohexyl-9-ethyl-3,4-dihydro-2H-carbazol-1-one (CID 1207842) is 6-cyclohexyl-9-ethyl-3,4-dihydro-2H-carbazol-1-one.
What is the SMILES notation for 6-cyclohexyl-9-ethyl-3,4-dihydro-2H-carbazol-1-one?
The canonical SMILES for 6-cyclohexyl-9-ethyl-3,4-dihydro-2H-carbazol-1-one is CCn1c2c(c3cc(C4CCCCC4)ccc31)CCCC2=O.
What is the InChIKey of 6-cyclohexyl-9-ethyl-3,4-dihydro-2H-carbazol-1-one?
The InChIKey is FOJJKHPSQHETCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-2-21-18-12-11-15(14-7-4-3-5-8-14)13-17(18)16-9-6-10-19(22)20(16)21/h11-14H,2-10H2,1H3.
What are the key properties of 6-cyclohexyl-9-ethyl-3,4-dihydro-2H-carbazol-1-one?
6-cyclohexyl-9-ethyl-3,4-dihydro-2H-carbazol-1-one has a molecular weight of 295.43 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-9-ethyl-3,4-dihydro-2H-carbazol-1-one is sourced from PubChem (CID 1207842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).