(5E)-1-ethyl-5-[(E)-2-methoxybut-2-enylidene]-4-methylidene-2-phenylpyrrole-3-carbonitrile

C19H20N2O — CID 143184062

IUPAC(5E)-1-ethyl-5-[(E)-2-methoxybut-2-enylidene]-4-methylidene-2-phenylpyrrole-3-carbonitrile
SMILESC=c1c(C#N)c(-c2ccccc2)n(CC)/c1=C/C(=C\C)OC
InChIInChI=1S/C19H20N2O/c1-5-16(22-4)12-18-14(3)17(13-20)19(21(18)6-2)15-10-8-7-9-11-15/h5,7-12H,3,6H2,1-2,4H3/b16-5+,18-12+
InChIKeyCHGHIRSBGKKLPK-HUAUDRMCSA-N
MW292.38 g/mol
LogP2.79
Rot. Bonds4

About (5E)-1-ethyl-5-[(E)-2-methoxybut-2-enylidene]-4-methylidene-2-phenylpyrrole-3-carbonitrile

(5E)-1-ethyl-5-[(E)-2-methoxybut-2-enylidene]-4-methylidene-2-phenylpyrrole-3-carbonitrile (PubChem CID 143184062) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is (5E)-1-ethyl-5-[(E)-2-methoxybut-2-enylidene]-4-methylidene-2-phenylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name(5E)-1-ethyl-5-[(E)-2-methoxybut-2-enylidene]-4-methylidene-2-phenylpyrrole-3-carbonitrile
PubChem CID143184062
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name(5E)-1-ethyl-5-[(E)-2-methoxybut-2-enylidene]-4-methylidene-2-phenylpyrrole-3-carbonitrile
SMILESC=c1c(C#N)c(-c2ccccc2)n(CC)/c1=C/C(=C\C)OC
InChIInChI=1S/C19H20N2O/c1-5-16(22-4)12-18-14(3)17(13-20)19(21(18)6-2)15-10-8-7-9-11-15/h5,7-12H,3,6H2,1-2,4H3/b16-5+,18-12+
InChIKeyCHGHIRSBGKKLPK-HUAUDRMCSA-N
XLogP2.79
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.79
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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Frequently Asked Questions

What is the IUPAC name of (5E)-1-ethyl-5-[(E)-2-methoxybut-2-enylidene]-4-methylidene-2-phenylpyrrole-3-carbonitrile?
The IUPAC name of (5E)-1-ethyl-5-[(E)-2-methoxybut-2-enylidene]-4-methylidene-2-phenylpyrrole-3-carbonitrile (CID 143184062) is (5E)-1-ethyl-5-[(E)-2-methoxybut-2-enylidene]-4-methylidene-2-phenylpyrrole-3-carbonitrile.
What is the SMILES notation for (5E)-1-ethyl-5-[(E)-2-methoxybut-2-enylidene]-4-methylidene-2-phenylpyrrole-3-carbonitrile?
The canonical SMILES for (5E)-1-ethyl-5-[(E)-2-methoxybut-2-enylidene]-4-methylidene-2-phenylpyrrole-3-carbonitrile is C=c1c(C#N)c(-c2ccccc2)n(CC)/c1=C/C(=C\C)OC.
What is the InChIKey of (5E)-1-ethyl-5-[(E)-2-methoxybut-2-enylidene]-4-methylidene-2-phenylpyrrole-3-carbonitrile?
The InChIKey is CHGHIRSBGKKLPK-HUAUDRMCSA-N. The full InChI is InChI=1S/C19H20N2O/c1-5-16(22-4)12-18-14(3)17(13-20)19(21(18)6-2)15-10-8-7-9-11-15/h5,7-12H,3,6H2,1-2,4H3/b16-5+,18-12+.
What are the key properties of (5E)-1-ethyl-5-[(E)-2-methoxybut-2-enylidene]-4-methylidene-2-phenylpyrrole-3-carbonitrile?
(5E)-1-ethyl-5-[(E)-2-methoxybut-2-enylidene]-4-methylidene-2-phenylpyrrole-3-carbonitrile has a molecular weight of 292.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-ethyl-5-[(E)-2-methoxybut-2-enylidene]-4-methylidene-2-phenylpyrrole-3-carbonitrile is sourced from PubChem (CID 143184062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).