2-(ethoxymethylidene)-4-phenylpyrrole-3-carbonitrile

C14H12N2O — CID 54208244

IUPAC2-(ethoxymethylidene)-4-phenylpyrrole-3-carbonitrile
SMILESCCOC=C1N=CC(c2ccccc2)=C1C#N
InChIInChI=1S/C14H12N2O/c1-2-17-10-14-12(8-15)13(9-16-14)11-6-4-3-5-7-11/h3-7,9-10H,2H2,1H3
InChIKeyPUBNWUYQBUCYHR-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.93
Rot. Bonds3

About 2-(ethoxymethylidene)-4-phenylpyrrole-3-carbonitrile

2-(ethoxymethylidene)-4-phenylpyrrole-3-carbonitrile (PubChem CID 54208244) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(ethoxymethylidene)-4-phenylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-(ethoxymethylidene)-4-phenylpyrrole-3-carbonitrile
PubChem CID54208244
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-(ethoxymethylidene)-4-phenylpyrrole-3-carbonitrile
SMILESCCOC=C1N=CC(c2ccccc2)=C1C#N
InChIInChI=1S/C14H12N2O/c1-2-17-10-14-12(8-15)13(9-16-14)11-6-4-3-5-7-11/h3-7,9-10H,2H2,1H3
InChIKeyPUBNWUYQBUCYHR-UHFFFAOYSA-N
XLogP2.93
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(E)-3-amino-2-(benzylideneamino)-3-methoxyprop-2-enenitrile
CID 5468840
1-(4-fluorophenyl)-N-[(Z)-1-methoxyprop-1-en-2-yl]methanimine
CID 144229311
3-Amino-2-(benzylideneamino)-3-methoxyacrylonitrile
CID 3005148
3-[5-(Ethoxymethylidene)pyrrol-3-yl]benzonitrile
CID 67672170
(2Z)-2-(ethoxymethylidene)-4-phenylpyrrole-3-carbonitrile
CID 69714624
5-Amino-2-(ethoxymethylidene)-4-phenylpyrrole-3-carbonitrile
CID 140387053
(2E,4Z)-5-methoxy-1-methylimino-4-phenylpenta-2,4-dien-2-amine
CID 143761359
(Z)-3-methoxy-2-[(4-methylphenyl)methylideneamino]prop-2-enenitrile
CID 146351569
3-Amino-2-(benzylideneamino)-3-methoxyprop-2-enenitrile
CID 385930
4-[(2-Amino-1-cyano-2-methoxyethenyl)iminomethyl]benzonitrile
CID 3401683
4-[[(E)-2-amino-1-cyano-2-methoxyethenyl]iminomethyl]benzonitrile
CID 5815721
4-[(E)-1-methoxyethyliminomethyl]benzonitrile
CID 10081176

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethylidene)-4-phenylpyrrole-3-carbonitrile?
The IUPAC name of 2-(ethoxymethylidene)-4-phenylpyrrole-3-carbonitrile (CID 54208244) is 2-(ethoxymethylidene)-4-phenylpyrrole-3-carbonitrile.
What is the SMILES notation for 2-(ethoxymethylidene)-4-phenylpyrrole-3-carbonitrile?
The canonical SMILES for 2-(ethoxymethylidene)-4-phenylpyrrole-3-carbonitrile is CCOC=C1N=CC(c2ccccc2)=C1C#N.
What is the InChIKey of 2-(ethoxymethylidene)-4-phenylpyrrole-3-carbonitrile?
The InChIKey is PUBNWUYQBUCYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-2-17-10-14-12(8-15)13(9-16-14)11-6-4-3-5-7-11/h3-7,9-10H,2H2,1H3.
What are the key properties of 2-(ethoxymethylidene)-4-phenylpyrrole-3-carbonitrile?
2-(ethoxymethylidene)-4-phenylpyrrole-3-carbonitrile has a molecular weight of 224.26 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethylidene)-4-phenylpyrrole-3-carbonitrile is sourced from PubChem (CID 54208244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).