4-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl]benzoic acid

C24H19NO3 — CID 155803493

IUPAC4-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl]benzoic acid
SMILESCCn1c2ccccc2c2cc(C=CC(=O)c3ccc(C(=O)O)cc3)ccc21
InChIInChI=1S/C24H19NO3/c1-2-25-21-6-4-3-5-19(21)20-15-16(7-13-22(20)25)8-14-23(26)17-9-11-18(12-10-17)24(27)28/h3-15H,2H2,1H3,(H,27,28)
InChIKeyRXLUBVPTUYSGTJ-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.41
Rot. Bonds5

About 4-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl]benzoic acid

4-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl]benzoic acid (PubChem CID 155803493) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl]benzoic acid.

Molecular Properties

Compound Name4-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl]benzoic acid
PubChem CID155803493
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name4-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl]benzoic acid
SMILESCCn1c2ccccc2c2cc(C=CC(=O)c3ccc(C(=O)O)cc3)ccc21
InChIInChI=1S/C24H19NO3/c1-2-25-21-6-4-3-5-19(21)20-15-16(7-13-22(20)25)8-14-23(26)17-9-11-18(12-10-17)24(27)28/h3-15H,2H2,1H3,(H,27,28)
InChIKeyRXLUBVPTUYSGTJ-UHFFFAOYSA-N
XLogP5.41
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.41
H-Bond Donors ≤ 51
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 4-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl]benzoic acid?
The IUPAC name of 4-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl]benzoic acid (CID 155803493) is 4-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl]benzoic acid.
What is the SMILES notation for 4-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl]benzoic acid?
The canonical SMILES for 4-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl]benzoic acid is CCn1c2ccccc2c2cc(C=CC(=O)c3ccc(C(=O)O)cc3)ccc21.
What is the InChIKey of 4-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl]benzoic acid?
The InChIKey is RXLUBVPTUYSGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c1-2-25-21-6-4-3-5-19(21)20-15-16(7-13-22(20)25)8-14-23(26)17-9-11-18(12-10-17)24(27)28/h3-15H,2H2,1H3,(H,27,28).
What are the key properties of 4-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl]benzoic acid?
4-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl]benzoic acid has a molecular weight of 369.42 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl]benzoic acid is sourced from PubChem (CID 155803493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).