N-[(2Z)-4-phenylpenta-2,4-dien-2-yl]ethanimine

C13H15N — CID 123736153

IUPACN-[(2Z)-4-phenylpenta-2,4-dien-2-yl]ethanimine
SMILESC=C(/C=C(C)\N=C\C)c1ccccc1
InChIInChI=1S/C13H15N/c1-4-14-12(3)10-11(2)13-8-6-5-7-9-13/h4-10H,2H2,1,3H3/b12-10-,14-4+
InChIKeyBBWNJCMRONUIFR-XXTJWCNASA-N
MW185.27 g/mol
LogP3.69
Rot. Bonds3

About N-[(2Z)-4-phenylpenta-2,4-dien-2-yl]ethanimine

N-[(2Z)-4-phenylpenta-2,4-dien-2-yl]ethanimine (PubChem CID 123736153) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[(2Z)-4-phenylpenta-2,4-dien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(2Z)-4-phenylpenta-2,4-dien-2-yl]ethanimine
PubChem CID123736153
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC NameN-[(2Z)-4-phenylpenta-2,4-dien-2-yl]ethanimine
SMILESC=C(/C=C(C)\N=C\C)c1ccccc1
InChIInChI=1S/C13H15N/c1-4-14-12(3)10-11(2)13-8-6-5-7-9-13/h4-10H,2H2,1,3H3/b12-10-,14-4+
InChIKeyBBWNJCMRONUIFR-XXTJWCNASA-N
XLogP3.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-4-phenylpenta-2,4-dien-2-yl]ethanimine?
The IUPAC name of N-[(2Z)-4-phenylpenta-2,4-dien-2-yl]ethanimine (CID 123736153) is N-[(2Z)-4-phenylpenta-2,4-dien-2-yl]ethanimine.
What is the SMILES notation for N-[(2Z)-4-phenylpenta-2,4-dien-2-yl]ethanimine?
The canonical SMILES for N-[(2Z)-4-phenylpenta-2,4-dien-2-yl]ethanimine is C=C(/C=C(C)\N=C\C)c1ccccc1.
What is the InChIKey of N-[(2Z)-4-phenylpenta-2,4-dien-2-yl]ethanimine?
The InChIKey is BBWNJCMRONUIFR-XXTJWCNASA-N. The full InChI is InChI=1S/C13H15N/c1-4-14-12(3)10-11(2)13-8-6-5-7-9-13/h4-10H,2H2,1,3H3/b12-10-,14-4+.
What are the key properties of N-[(2Z)-4-phenylpenta-2,4-dien-2-yl]ethanimine?
N-[(2Z)-4-phenylpenta-2,4-dien-2-yl]ethanimine has a molecular weight of 185.27 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-4-phenylpenta-2,4-dien-2-yl]ethanimine is sourced from PubChem (CID 123736153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).