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

C14H13NO2 — CID 853608

IUPAC9-acetyl-3,4-dihydro-2H-carbazol-1-one
SMILESCC(=O)n1c2c(c3ccccc31)CCCC2=O
InChIInChI=1S/C14H13NO2/c1-9(16)15-12-7-3-2-5-10(12)11-6-4-8-13(17)14(11)15/h2-3,5,7H,4,6,8H2,1H3
InChIKeyMIGJEXKBUJPKJF-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.82
Rot. Bonds

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

9-acetyl-3,4-dihydro-2H-carbazol-1-one (PubChem CID 853608) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 9-acetyl-3,4-dihydro-2H-carbazol-1-one.

Molecular Properties

Compound Name9-acetyl-3,4-dihydro-2H-carbazol-1-one
PubChem CID853608
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name9-acetyl-3,4-dihydro-2H-carbazol-1-one
SMILESCC(=O)n1c2c(c3ccccc31)CCCC2=O
InChIInChI=1S/C14H13NO2/c1-9(16)15-12-7-3-2-5-10(12)11-6-4-8-13(17)14(11)15/h2-3,5,7H,4,6,8H2,1H3
InChIKeyMIGJEXKBUJPKJF-UHFFFAOYSA-N
XLogP2.82
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-acetyl-3,4-dihydro-2H-carbazol-1-one?
The IUPAC name of 9-acetyl-3,4-dihydro-2H-carbazol-1-one (CID 853608) is 9-acetyl-3,4-dihydro-2H-carbazol-1-one.
What is the SMILES notation for 9-acetyl-3,4-dihydro-2H-carbazol-1-one?
The canonical SMILES for 9-acetyl-3,4-dihydro-2H-carbazol-1-one is CC(=O)n1c2c(c3ccccc31)CCCC2=O.
What is the InChIKey of 9-acetyl-3,4-dihydro-2H-carbazol-1-one?
The InChIKey is MIGJEXKBUJPKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-9(16)15-12-7-3-2-5-10(12)11-6-4-8-13(17)14(11)15/h2-3,5,7H,4,6,8H2,1H3.
What are the key properties of 9-acetyl-3,4-dihydro-2H-carbazol-1-one?
9-acetyl-3,4-dihydro-2H-carbazol-1-one has a molecular weight of 227.26 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-acetyl-3,4-dihydro-2H-carbazol-1-one is sourced from PubChem (CID 853608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).