(E)-2-cyano-N-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enamide

C14H10FN3O — CID 24818453

IUPAC(E)-2-cyano-N-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccc[nH]1)C(=O)Nc1ccccc1F
InChIInChI=1S/C14H10FN3O/c15-12-5-1-2-6-13(12)18-14(19)10(9-16)8-11-4-3-7-17-11/h1-8,17H,(H,18,19)/b10-8+
InChIKeyUHHKNRWTEXPYQI-CSKARUKUSA-N
MW255.25 g/mol
LogP2.70
Rot. Bonds3

About (E)-2-cyano-N-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enamide

(E)-2-cyano-N-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enamide (PubChem CID 24818453) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is (E)-2-cyano-N-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enamide
PubChem CID24818453
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name(E)-2-cyano-N-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccc[nH]1)C(=O)Nc1ccccc1F
InChIInChI=1S/C14H10FN3O/c15-12-5-1-2-6-13(12)18-14(19)10(9-16)8-11-4-3-7-17-11/h1-8,17H,(H,18,19)/b10-8+
InChIKeyUHHKNRWTEXPYQI-CSKARUKUSA-N
XLogP2.70
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enamide (CID 24818453) is (E)-2-cyano-N-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enamide is N#C/C(=C\c1ccc[nH]1)C(=O)Nc1ccccc1F.
What is the InChIKey of (E)-2-cyano-N-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enamide?
The InChIKey is UHHKNRWTEXPYQI-CSKARUKUSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-12-5-1-2-6-13(12)18-14(19)10(9-16)8-11-4-3-7-17-11/h1-8,17H,(H,18,19)/b10-8+.
What are the key properties of (E)-2-cyano-N-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enamide?
(E)-2-cyano-N-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enamide has a molecular weight of 255.25 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enamide is sourced from PubChem (CID 24818453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).