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

C15H17NO — CID 711297

IUPAC9-ethyl-6-methyl-3,4-dihydro-2H-carbazol-1-one
SMILESCCn1c2c(c3cc(C)ccc31)CCCC2=O
InChIInChI=1S/C15H17NO/c1-3-16-13-8-7-10(2)9-12(13)11-5-4-6-14(17)15(11)16/h7-9H,3-6H2,1-2H3
InChIKeyROJRYYKUDNSCPD-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.49
Rot. Bonds1

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

9-ethyl-6-methyl-3,4-dihydro-2H-carbazol-1-one (PubChem CID 711297) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 9-ethyl-6-methyl-3,4-dihydro-2H-carbazol-1-one.

Molecular Properties

Compound Name9-ethyl-6-methyl-3,4-dihydro-2H-carbazol-1-one
PubChem CID711297
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name9-ethyl-6-methyl-3,4-dihydro-2H-carbazol-1-one
SMILESCCn1c2c(c3cc(C)ccc31)CCCC2=O
InChIInChI=1S/C15H17NO/c1-3-16-13-8-7-10(2)9-12(13)11-5-4-6-14(17)15(11)16/h7-9H,3-6H2,1-2H3
InChIKeyROJRYYKUDNSCPD-UHFFFAOYSA-N
XLogP3.49
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.49
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 9-ethyl-6-methyl-3,4-dihydro-2H-carbazol-1-one?
The IUPAC name of 9-ethyl-6-methyl-3,4-dihydro-2H-carbazol-1-one (CID 711297) is 9-ethyl-6-methyl-3,4-dihydro-2H-carbazol-1-one.
What is the SMILES notation for 9-ethyl-6-methyl-3,4-dihydro-2H-carbazol-1-one?
The canonical SMILES for 9-ethyl-6-methyl-3,4-dihydro-2H-carbazol-1-one is CCn1c2c(c3cc(C)ccc31)CCCC2=O.
What is the InChIKey of 9-ethyl-6-methyl-3,4-dihydro-2H-carbazol-1-one?
The InChIKey is ROJRYYKUDNSCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-3-16-13-8-7-10(2)9-12(13)11-5-4-6-14(17)15(11)16/h7-9H,3-6H2,1-2H3.
What are the key properties of 9-ethyl-6-methyl-3,4-dihydro-2H-carbazol-1-one?
9-ethyl-6-methyl-3,4-dihydro-2H-carbazol-1-one has a molecular weight of 227.31 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-methyl-3,4-dihydro-2H-carbazol-1-one is sourced from PubChem (CID 711297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).