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

C13H13NO — CID 12026696

IUPAC9-methyl-2,4-dihydro-1H-carbazol-3-one
SMILESCn1c2c(c3ccccc31)CC(=O)CC2
InChIInChI=1S/C13H13NO/c1-14-12-5-3-2-4-10(12)11-8-9(15)6-7-13(11)14/h2-5H,6-8H2,1H3
InChIKeyWLOVPMGHQFRSIT-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.24
Rot. Bonds

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

9-methyl-2,4-dihydro-1H-carbazol-3-one (PubChem CID 12026696) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 9-methyl-2,4-dihydro-1H-carbazol-3-one.

Molecular Properties

Compound Name9-methyl-2,4-dihydro-1H-carbazol-3-one
PubChem CID12026696
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name9-methyl-2,4-dihydro-1H-carbazol-3-one
SMILESCn1c2c(c3ccccc31)CC(=O)CC2
InChIInChI=1S/C13H13NO/c1-14-12-5-3-2-4-10(12)11-8-9(15)6-7-13(11)14/h2-5H,6-8H2,1H3
InChIKeyWLOVPMGHQFRSIT-UHFFFAOYSA-N
XLogP2.24
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.24
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-methyl-2,4-dihydro-1H-carbazol-3-one?
The IUPAC name of 9-methyl-2,4-dihydro-1H-carbazol-3-one (CID 12026696) is 9-methyl-2,4-dihydro-1H-carbazol-3-one.
What is the SMILES notation for 9-methyl-2,4-dihydro-1H-carbazol-3-one?
The canonical SMILES for 9-methyl-2,4-dihydro-1H-carbazol-3-one is Cn1c2c(c3ccccc31)CC(=O)CC2.
What is the InChIKey of 9-methyl-2,4-dihydro-1H-carbazol-3-one?
The InChIKey is WLOVPMGHQFRSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-14-12-5-3-2-4-10(12)11-8-9(15)6-7-13(11)14/h2-5H,6-8H2,1H3.
What are the key properties of 9-methyl-2,4-dihydro-1H-carbazol-3-one?
9-methyl-2,4-dihydro-1H-carbazol-3-one has a molecular weight of 199.25 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2,4-dihydro-1H-carbazol-3-one is sourced from PubChem (CID 12026696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).