(Z)-4-methyl-2-[(E)-2-phenylprop-1-enyl]pent-2-enenitrile

C15H17N — CID 100960930

IUPAC(Z)-4-methyl-2-[(E)-2-phenylprop-1-enyl]pent-2-enenitrile
SMILESC/C(=C\C(C#N)=C\C(C)C)c1ccccc1
InChIInChI=1S/C15H17N/c1-12(2)9-14(11-16)10-13(3)15-7-5-4-6-8-15/h4-10,12H,1-3H3/b13-10+,14-9-
InChIKeyFKYDUKNGTXWVHO-RWNVEXOMSA-N
MW211.31 g/mol
LogP4.20
Rot. Bonds3

About (Z)-4-methyl-2-[(E)-2-phenylprop-1-enyl]pent-2-enenitrile

(Z)-4-methyl-2-[(E)-2-phenylprop-1-enyl]pent-2-enenitrile (PubChem CID 100960930) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is (Z)-4-methyl-2-[(E)-2-phenylprop-1-enyl]pent-2-enenitrile.

Molecular Properties

Compound Name(Z)-4-methyl-2-[(E)-2-phenylprop-1-enyl]pent-2-enenitrile
PubChem CID100960930
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name(Z)-4-methyl-2-[(E)-2-phenylprop-1-enyl]pent-2-enenitrile
SMILESC/C(=C\C(C#N)=C\C(C)C)c1ccccc1
InChIInChI=1S/C15H17N/c1-12(2)9-14(11-16)10-13(3)15-7-5-4-6-8-15/h4-10,12H,1-3H3/b13-10+,14-9-
InChIKeyFKYDUKNGTXWVHO-RWNVEXOMSA-N
XLogP4.20
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-2-[(E)-2-phenylprop-1-enyl]pent-2-enenitrile?
The IUPAC name of (Z)-4-methyl-2-[(E)-2-phenylprop-1-enyl]pent-2-enenitrile (CID 100960930) is (Z)-4-methyl-2-[(E)-2-phenylprop-1-enyl]pent-2-enenitrile.
What is the SMILES notation for (Z)-4-methyl-2-[(E)-2-phenylprop-1-enyl]pent-2-enenitrile?
The canonical SMILES for (Z)-4-methyl-2-[(E)-2-phenylprop-1-enyl]pent-2-enenitrile is C/C(=C\C(C#N)=C\C(C)C)c1ccccc1.
What is the InChIKey of (Z)-4-methyl-2-[(E)-2-phenylprop-1-enyl]pent-2-enenitrile?
The InChIKey is FKYDUKNGTXWVHO-RWNVEXOMSA-N. The full InChI is InChI=1S/C15H17N/c1-12(2)9-14(11-16)10-13(3)15-7-5-4-6-8-15/h4-10,12H,1-3H3/b13-10+,14-9-.
What are the key properties of (Z)-4-methyl-2-[(E)-2-phenylprop-1-enyl]pent-2-enenitrile?
(Z)-4-methyl-2-[(E)-2-phenylprop-1-enyl]pent-2-enenitrile has a molecular weight of 211.31 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-2-[(E)-2-phenylprop-1-enyl]pent-2-enenitrile is sourced from PubChem (CID 100960930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).