(2E)-2-[(Z)-1-[4-(aminomethyl)phenyl]prop-1-enyl]penta-2,4-dienenitrile

C15H16N2 — CID 143451168

IUPAC(2E)-2-[(Z)-1-[4-(aminomethyl)phenyl]prop-1-enyl]penta-2,4-dienenitrile
SMILESC=C/C=C(C#N)\C(=C/C)c1ccc(CN)cc1
InChIInChI=1S/C15H16N2/c1-3-5-14(11-17)15(4-2)13-8-6-12(10-16)7-9-13/h3-9H,1,10,16H2,2H3/b14-5-,15-4-
InChIKeyLZRONYXDGUXJAQ-VUKGBJSVSA-N
MW224.31 g/mol
LogP3.18
Rot. Bonds4

About (2E)-2-[(Z)-1-[4-(aminomethyl)phenyl]prop-1-enyl]penta-2,4-dienenitrile

(2E)-2-[(Z)-1-[4-(aminomethyl)phenyl]prop-1-enyl]penta-2,4-dienenitrile (PubChem CID 143451168) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is (2E)-2-[(Z)-1-[4-(aminomethyl)phenyl]prop-1-enyl]penta-2,4-dienenitrile.

Molecular Properties

Compound Name(2E)-2-[(Z)-1-[4-(aminomethyl)phenyl]prop-1-enyl]penta-2,4-dienenitrile
PubChem CID143451168
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name(2E)-2-[(Z)-1-[4-(aminomethyl)phenyl]prop-1-enyl]penta-2,4-dienenitrile
SMILESC=C/C=C(C#N)\C(=C/C)c1ccc(CN)cc1
InChIInChI=1S/C15H16N2/c1-3-5-14(11-17)15(4-2)13-8-6-12(10-16)7-9-13/h3-9H,1,10,16H2,2H3/b14-5-,15-4-
InChIKeyLZRONYXDGUXJAQ-VUKGBJSVSA-N
XLogP3.18
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2E)-2-[(Z)-1-[4-(aminomethyl)phenyl]prop-1-enyl]penta-2,4-dienenitrile?
The IUPAC name of (2E)-2-[(Z)-1-[4-(aminomethyl)phenyl]prop-1-enyl]penta-2,4-dienenitrile (CID 143451168) is (2E)-2-[(Z)-1-[4-(aminomethyl)phenyl]prop-1-enyl]penta-2,4-dienenitrile.
What is the SMILES notation for (2E)-2-[(Z)-1-[4-(aminomethyl)phenyl]prop-1-enyl]penta-2,4-dienenitrile?
The canonical SMILES for (2E)-2-[(Z)-1-[4-(aminomethyl)phenyl]prop-1-enyl]penta-2,4-dienenitrile is C=C/C=C(C#N)\C(=C/C)c1ccc(CN)cc1.
What is the InChIKey of (2E)-2-[(Z)-1-[4-(aminomethyl)phenyl]prop-1-enyl]penta-2,4-dienenitrile?
The InChIKey is LZRONYXDGUXJAQ-VUKGBJSVSA-N. The full InChI is InChI=1S/C15H16N2/c1-3-5-14(11-17)15(4-2)13-8-6-12(10-16)7-9-13/h3-9H,1,10,16H2,2H3/b14-5-,15-4-.
What are the key properties of (2E)-2-[(Z)-1-[4-(aminomethyl)phenyl]prop-1-enyl]penta-2,4-dienenitrile?
(2E)-2-[(Z)-1-[4-(aminomethyl)phenyl]prop-1-enyl]penta-2,4-dienenitrile has a molecular weight of 224.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-1-[4-(aminomethyl)phenyl]prop-1-enyl]penta-2,4-dienenitrile is sourced from PubChem (CID 143451168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).