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

C14H15NO — CID 684308

IUPAC6,9-dimethyl-3,4-dihydro-2H-carbazol-1-one
SMILESCc1ccc2c(c1)c1c(n2C)C(=O)CCC1
InChIInChI=1S/C14H15NO/c1-9-6-7-12-11(8-9)10-4-3-5-13(16)14(10)15(12)2/h6-8H,3-5H2,1-2H3
InChIKeyHUCYGURJOMKPRS-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.01
Rot. Bonds

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

6,9-dimethyl-3,4-dihydro-2H-carbazol-1-one (PubChem CID 684308) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 6,9-dimethyl-3,4-dihydro-2H-carbazol-1-one.

Molecular Properties

Compound Name6,9-dimethyl-3,4-dihydro-2H-carbazol-1-one
PubChem CID684308
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name6,9-dimethyl-3,4-dihydro-2H-carbazol-1-one
SMILESCc1ccc2c(c1)c1c(n2C)C(=O)CCC1
InChIInChI=1S/C14H15NO/c1-9-6-7-12-11(8-9)10-4-3-5-13(16)14(10)15(12)2/h6-8H,3-5H2,1-2H3
InChIKeyHUCYGURJOMKPRS-UHFFFAOYSA-N
XLogP3.01
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.01
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 6,9-dimethyl-3,4-dihydro-2H-carbazol-1-one?
The IUPAC name of 6,9-dimethyl-3,4-dihydro-2H-carbazol-1-one (CID 684308) is 6,9-dimethyl-3,4-dihydro-2H-carbazol-1-one.
What is the SMILES notation for 6,9-dimethyl-3,4-dihydro-2H-carbazol-1-one?
The canonical SMILES for 6,9-dimethyl-3,4-dihydro-2H-carbazol-1-one is Cc1ccc2c(c1)c1c(n2C)C(=O)CCC1.
What is the InChIKey of 6,9-dimethyl-3,4-dihydro-2H-carbazol-1-one?
The InChIKey is HUCYGURJOMKPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-9-6-7-12-11(8-9)10-4-3-5-13(16)14(10)15(12)2/h6-8H,3-5H2,1-2H3.
What are the key properties of 6,9-dimethyl-3,4-dihydro-2H-carbazol-1-one?
6,9-dimethyl-3,4-dihydro-2H-carbazol-1-one has a molecular weight of 213.28 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dimethyl-3,4-dihydro-2H-carbazol-1-one is sourced from PubChem (CID 684308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).