1-carbazol-9-ylethanone;diaziridin-3-one

C15H13N3O2 — CID 174714920

IUPAC1-carbazol-9-ylethanone;diaziridin-3-one
SMILESCC(=O)n1c2ccccc2c2ccccc21.O=C1NN1
InChIInChI=1S/C14H11NO.CH2N2O/c1-10(16)15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15;4-1-2-3-1/h2-9H,1H3;(H2,2,3,4)
InChIKeyZDMOXEQLGDKKBW-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.67
Rot. Bonds

About 1-carbazol-9-ylethanone;diaziridin-3-one

1-carbazol-9-ylethanone;diaziridin-3-one (PubChem CID 174714920) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-carbazol-9-ylethanone;diaziridin-3-one.

Molecular Properties

Compound Name1-carbazol-9-ylethanone;diaziridin-3-one
PubChem CID174714920
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name1-carbazol-9-ylethanone;diaziridin-3-one
SMILESCC(=O)n1c2ccccc2c2ccccc21.O=C1NN1
InChIInChI=1S/C14H11NO.CH2N2O/c1-10(16)15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15;4-1-2-3-1/h2-9H,1H3;(H2,2,3,4)
InChIKeyZDMOXEQLGDKKBW-UHFFFAOYSA-N
XLogP2.67
TPSA82.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-ylethanone;diaziridin-3-one?
The IUPAC name of 1-carbazol-9-ylethanone;diaziridin-3-one (CID 174714920) is 1-carbazol-9-ylethanone;diaziridin-3-one.
What is the SMILES notation for 1-carbazol-9-ylethanone;diaziridin-3-one?
The canonical SMILES for 1-carbazol-9-ylethanone;diaziridin-3-one is CC(=O)n1c2ccccc2c2ccccc21.O=C1NN1.
What is the InChIKey of 1-carbazol-9-ylethanone;diaziridin-3-one?
The InChIKey is ZDMOXEQLGDKKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO.CH2N2O/c1-10(16)15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15;4-1-2-3-1/h2-9H,1H3;(H2,2,3,4).
What are the key properties of 1-carbazol-9-ylethanone;diaziridin-3-one?
1-carbazol-9-ylethanone;diaziridin-3-one has a molecular weight of 267.29 g/mol, XLogP of 2.67, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-ylethanone;diaziridin-3-one is sourced from PubChem (CID 174714920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).