1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one

C23H20N2O — CID 71372095

IUPAC1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one
SMILESCCn1c2ccccc2c2cc(C=CC(=O)c3ccccc3N)ccc21
InChIInChI=1S/C23H20N2O/c1-2-25-21-10-6-4-7-17(21)19-15-16(11-13-22(19)25)12-14-23(26)18-8-3-5-9-20(18)24/h3-15H,2,24H2,1H3
InChIKeyRWHFFENJHINNMS-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.29
Rot. Bonds4

About 1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one

1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one (PubChem CID 71372095) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one
PubChem CID71372095
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one
SMILESCCn1c2ccccc2c2cc(C=CC(=O)c3ccccc3N)ccc21
InChIInChI=1S/C23H20N2O/c1-2-25-21-10-6-4-7-17(21)19-15-16(11-13-22(19)25)12-14-23(26)18-8-3-5-9-20(18)24/h3-15H,2,24H2,1H3
InChIKeyRWHFFENJHINNMS-UHFFFAOYSA-N
XLogP5.29
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one?
The IUPAC name of 1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one (CID 71372095) is 1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one?
The canonical SMILES for 1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one is CCn1c2ccccc2c2cc(C=CC(=O)c3ccccc3N)ccc21.
What is the InChIKey of 1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one?
The InChIKey is RWHFFENJHINNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-2-25-21-10-6-4-7-17(21)19-15-16(11-13-22(19)25)12-14-23(26)18-8-3-5-9-20(18)24/h3-15H,2,24H2,1H3.
What are the key properties of 1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one?
1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one has a molecular weight of 340.43 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one is sourced from PubChem (CID 71372095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).