(2-carbazol-9-ylphenyl) prop-2-enoate

C21H15NO2 — CID 174212207

IUPAC(2-carbazol-9-ylphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C21H15NO2/c1-2-21(23)24-20-14-8-7-13-19(20)22-17-11-5-3-9-15(17)16-10-4-6-12-18(16)22/h2-14H,1H2
InChIKeyADSFPGYUQMGPKU-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.88
Rot. Bonds3

About (2-carbazol-9-ylphenyl) prop-2-enoate

(2-carbazol-9-ylphenyl) prop-2-enoate (PubChem CID 174212207) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (2-carbazol-9-ylphenyl) prop-2-enoate.

Molecular Properties

Compound Name(2-carbazol-9-ylphenyl) prop-2-enoate
PubChem CID174212207
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name(2-carbazol-9-ylphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C21H15NO2/c1-2-21(23)24-20-14-8-7-13-19(20)22-17-11-5-3-9-15(17)16-10-4-6-12-18(16)22/h2-14H,1H2
InChIKeyADSFPGYUQMGPKU-UHFFFAOYSA-N
XLogP4.88
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-carbazol-9-ylphenyl) prop-2-enoate?
The IUPAC name of (2-carbazol-9-ylphenyl) prop-2-enoate (CID 174212207) is (2-carbazol-9-ylphenyl) prop-2-enoate.
What is the SMILES notation for (2-carbazol-9-ylphenyl) prop-2-enoate?
The canonical SMILES for (2-carbazol-9-ylphenyl) prop-2-enoate is C=CC(=O)Oc1ccccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of (2-carbazol-9-ylphenyl) prop-2-enoate?
The InChIKey is ADSFPGYUQMGPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2/c1-2-21(23)24-20-14-8-7-13-19(20)22-17-11-5-3-9-15(17)16-10-4-6-12-18(16)22/h2-14H,1H2.
What are the key properties of (2-carbazol-9-ylphenyl) prop-2-enoate?
(2-carbazol-9-ylphenyl) prop-2-enoate has a molecular weight of 313.36 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbazol-9-ylphenyl) prop-2-enoate is sourced from PubChem (CID 174212207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).