N-phenylpenta-2,4-dien-1-imine

C11H11N — CID 123454989

IUPACN-phenylpenta-2,4-dien-1-imine
SMILESC=CC=C/C=N/c1ccccc1
InChIInChI=1S/C11H11N/c1-2-3-7-10-12-11-8-5-4-6-9-11/h2-10H,1H2/b7-3?,12-10+
InChIKeyROSXEUAPKVTVOZ-BXXCPVCWSA-N
MW157.22 g/mol
LogP3.13
Rot. Bonds3

About N-phenylpenta-2,4-dien-1-imine

N-phenylpenta-2,4-dien-1-imine (PubChem CID 123454989) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is N-phenylpenta-2,4-dien-1-imine.

Molecular Properties

Compound NameN-phenylpenta-2,4-dien-1-imine
PubChem CID123454989
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC NameN-phenylpenta-2,4-dien-1-imine
SMILESC=CC=C/C=N/c1ccccc1
InChIInChI=1S/C11H11N/c1-2-3-7-10-12-11-8-5-4-6-9-11/h2-10H,1H2/b7-3?,12-10+
InChIKeyROSXEUAPKVTVOZ-BXXCPVCWSA-N
XLogP3.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 53.13
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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Related Compounds

(2E,4E)-N-phenylocta-2,4,7-trien-1-imine
CID 140586611
(Z)-3-phenyliminoprop-1-en-1-amine
CID 118014655
(Z)-N,3-diphenylprop-2-en-1-imine
CID 40507555
N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]hydroxylamine
CID 10726275
(E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine
CID 135076458
(E)-N,N'-diphenylpent-2-ene-1,5-diimine
CID 5473746
N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride
CID 161064876
bromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine
CID 22968105
N-methyl-N'-phenylethane-1,2-diimine
CID 21014566
(E)-N,4-diphenylbut-2-en-1-imine
CID 58165742
hydron;N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;chloride
CID 174144711
hydron;N-[(E)-3-phenyliminoprop-1-enyl]aniline;chloride
CID 91997009

Frequently Asked Questions

What is the IUPAC name of N-phenylpenta-2,4-dien-1-imine?
The IUPAC name of N-phenylpenta-2,4-dien-1-imine (CID 123454989) is N-phenylpenta-2,4-dien-1-imine.
What is the SMILES notation for N-phenylpenta-2,4-dien-1-imine?
The canonical SMILES for N-phenylpenta-2,4-dien-1-imine is C=CC=C/C=N/c1ccccc1.
What is the InChIKey of N-phenylpenta-2,4-dien-1-imine?
The InChIKey is ROSXEUAPKVTVOZ-BXXCPVCWSA-N. The full InChI is InChI=1S/C11H11N/c1-2-3-7-10-12-11-8-5-4-6-9-11/h2-10H,1H2/b7-3?,12-10+.
What are the key properties of N-phenylpenta-2,4-dien-1-imine?
N-phenylpenta-2,4-dien-1-imine has a molecular weight of 157.22 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylpenta-2,4-dien-1-imine is sourced from PubChem (CID 123454989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).