2-carbazol-9-ylethyl prop-2-enoate

C17H15NO2 — CID 3311244

IUPAC2-carbazol-9-ylethyl prop-2-enoate
SMILESC=CC(=O)OCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C17H15NO2/c1-2-17(19)20-12-11-18-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18/h2-10H,1,11-12H2
InChIKeyKOHMQTTZAWPDNE-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.52
Rot. Bonds4

About 2-carbazol-9-ylethyl prop-2-enoate

2-carbazol-9-ylethyl prop-2-enoate (PubChem CID 3311244) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-carbazol-9-ylethyl prop-2-enoate.

Molecular Properties

Compound Name2-carbazol-9-ylethyl prop-2-enoate
PubChem CID3311244
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-carbazol-9-ylethyl prop-2-enoate
SMILESC=CC(=O)OCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C17H15NO2/c1-2-17(19)20-12-11-18-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18/h2-10H,1,11-12H2
InChIKeyKOHMQTTZAWPDNE-UHFFFAOYSA-N
XLogP3.52
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-ylethyl prop-2-enoate?
The IUPAC name of 2-carbazol-9-ylethyl prop-2-enoate (CID 3311244) is 2-carbazol-9-ylethyl prop-2-enoate.
What is the SMILES notation for 2-carbazol-9-ylethyl prop-2-enoate?
The canonical SMILES for 2-carbazol-9-ylethyl prop-2-enoate is C=CC(=O)OCCn1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-ylethyl prop-2-enoate?
The InChIKey is KOHMQTTZAWPDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-2-17(19)20-12-11-18-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18/h2-10H,1,11-12H2.
What are the key properties of 2-carbazol-9-ylethyl prop-2-enoate?
2-carbazol-9-ylethyl prop-2-enoate has a molecular weight of 265.31 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-ylethyl prop-2-enoate is sourced from PubChem (CID 3311244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).