9H-carbazole;prop-2-enamide

C15H14N2O — CID 174545742

IUPAC9H-carbazole;prop-2-enamide
SMILESC=CC(N)=O.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.C3H5NO/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-3(4)5/h1-8,13H;2H,1H2,(H2,4,5)
InChIKeyNXRLMAACRKQTJW-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.98
Rot. Bonds1

About 9H-carbazole;prop-2-enamide

9H-carbazole;prop-2-enamide (PubChem CID 174545742) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 9H-carbazole;prop-2-enamide.

Molecular Properties

Compound Name9H-carbazole;prop-2-enamide
PubChem CID174545742
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name9H-carbazole;prop-2-enamide
SMILESC=CC(N)=O.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.C3H5NO/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-3(4)5/h1-8,13H;2H,1H2,(H2,4,5)
InChIKeyNXRLMAACRKQTJW-UHFFFAOYSA-N
XLogP2.98
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;prop-2-enamide?
The IUPAC name of 9H-carbazole;prop-2-enamide (CID 174545742) is 9H-carbazole;prop-2-enamide.
What is the SMILES notation for 9H-carbazole;prop-2-enamide?
The canonical SMILES for 9H-carbazole;prop-2-enamide is C=CC(N)=O.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9H-carbazole;prop-2-enamide?
The InChIKey is NXRLMAACRKQTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N.C3H5NO/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-3(4)5/h1-8,13H;2H,1H2,(H2,4,5).
What are the key properties of 9H-carbazole;prop-2-enamide?
9H-carbazole;prop-2-enamide has a molecular weight of 238.29 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;prop-2-enamide is sourced from PubChem (CID 174545742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).