(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoic acid

C17H15NO2 — CID 6235514

IUPAC(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoic acid
SMILESCCn1c2ccccc2c2cc(/C=C/C(=O)O)ccc21
InChIInChI=1S/C17H15NO2/c1-2-18-15-6-4-3-5-13(15)14-11-12(7-9-16(14)18)8-10-17(19)20/h3-11H,2H2,1H3,(H,19,20)/b10-8+
InChIKeyFMELYMHOSLTJEH-CSKARUKUSA-N
MW265.31 g/mol
LogP3.91
Rot. Bonds3

About (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoic acid

(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoic acid (PubChem CID 6235514) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoic acid
PubChem CID6235514
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoic acid
SMILESCCn1c2ccccc2c2cc(/C=C/C(=O)O)ccc21
InChIInChI=1S/C17H15NO2/c1-2-18-15-6-4-3-5-13(15)14-11-12(7-9-16(14)18)8-10-17(19)20/h3-11H,2H2,1H3,(H,19,20)/b10-8+
InChIKeyFMELYMHOSLTJEH-CSKARUKUSA-N
XLogP3.91
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoic acid (CID 6235514) is (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoic acid is CCn1c2ccccc2c2cc(/C=C/C(=O)O)ccc21.
What is the InChIKey of (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoic acid?
The InChIKey is FMELYMHOSLTJEH-CSKARUKUSA-N. The full InChI is InChI=1S/C17H15NO2/c1-2-18-15-6-4-3-5-13(15)14-11-12(7-9-16(14)18)8-10-17(19)20/h3-11H,2H2,1H3,(H,19,20)/b10-8+.
What are the key properties of (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoic acid?
(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoic acid has a molecular weight of 265.31 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoic acid is sourced from PubChem (CID 6235514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).