2-[(E)-1-(4-methoxyphenyl)pent-1-en-3-ylidene]propanedinitrile

C15H14N2O — CID 139080239

IUPAC2-[(E)-1-(4-methoxyphenyl)pent-1-en-3-ylidene]propanedinitrile
SMILESCCC(/C=C/c1ccc(OC)cc1)=C(C#N)C#N
InChIInChI=1S/C15H14N2O/c1-3-13(14(10-16)11-17)7-4-12-5-8-15(18-2)9-6-12/h4-9H,3H2,1-2H3/b7-4+
InChIKeyOYDKKTXHJKAXMY-QPJJXVBHSA-N
MW238.29 g/mol
LogP3.46
Rot. Bonds4

About 2-[(E)-1-(4-methoxyphenyl)pent-1-en-3-ylidene]propanedinitrile

2-[(E)-1-(4-methoxyphenyl)pent-1-en-3-ylidene]propanedinitrile (PubChem CID 139080239) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(E)-1-(4-methoxyphenyl)pent-1-en-3-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(E)-1-(4-methoxyphenyl)pent-1-en-3-ylidene]propanedinitrile
PubChem CID139080239
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-[(E)-1-(4-methoxyphenyl)pent-1-en-3-ylidene]propanedinitrile
SMILESCCC(/C=C/c1ccc(OC)cc1)=C(C#N)C#N
InChIInChI=1S/C15H14N2O/c1-3-13(14(10-16)11-17)7-4-12-5-8-15(18-2)9-6-12/h4-9H,3H2,1-2H3/b7-4+
InChIKeyOYDKKTXHJKAXMY-QPJJXVBHSA-N
XLogP3.46
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-1-phenylpent-1-en-3-ylidene]propanedinitrile
CID 102042134
CID 59090938
CID 59090938
2-amino-4-cyclopropyl-6-(4-methoxyphenyl)hexa-1,3,5-triene-1,1,3-tricarbonitrile
CID 3761512
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
2-[1-(4-methoxyphenyl)propylidene]propanedinitrile
CID 82309101
2-[(4-methoxyphenyl)methylidene]propanedinitrile
CID 2063
(4-cyanophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 4117354
CID 69129935
CID 69129935
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
[(E)-1-methoxy-3-(4-methoxyphenyl)prop-2-enylidene]chromium
CID 11349156
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(4-methoxyphenyl)pent-1-en-3-ylidene]propanedinitrile?
The IUPAC name of 2-[(E)-1-(4-methoxyphenyl)pent-1-en-3-ylidene]propanedinitrile (CID 139080239) is 2-[(E)-1-(4-methoxyphenyl)pent-1-en-3-ylidene]propanedinitrile.
What is the SMILES notation for 2-[(E)-1-(4-methoxyphenyl)pent-1-en-3-ylidene]propanedinitrile?
The canonical SMILES for 2-[(E)-1-(4-methoxyphenyl)pent-1-en-3-ylidene]propanedinitrile is CCC(/C=C/c1ccc(OC)cc1)=C(C#N)C#N.
What is the InChIKey of 2-[(E)-1-(4-methoxyphenyl)pent-1-en-3-ylidene]propanedinitrile?
The InChIKey is OYDKKTXHJKAXMY-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H14N2O/c1-3-13(14(10-16)11-17)7-4-12-5-8-15(18-2)9-6-12/h4-9H,3H2,1-2H3/b7-4+.
What are the key properties of 2-[(E)-1-(4-methoxyphenyl)pent-1-en-3-ylidene]propanedinitrile?
2-[(E)-1-(4-methoxyphenyl)pent-1-en-3-ylidene]propanedinitrile has a molecular weight of 238.29 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(4-methoxyphenyl)pent-1-en-3-ylidene]propanedinitrile is sourced from PubChem (CID 139080239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).