1-phenyl-N-[(E)-prop-1-enyl]ethanimine

C11H13N — CID 13099167

IUPAC1-phenyl-N-[(E)-prop-1-enyl]ethanimine
SMILESC/C=C/N=C(\C)c1ccccc1
InChIInChI=1S/C11H13N/c1-3-9-12-10(2)11-7-5-4-6-8-11/h3-9H,1-2H3/b9-3+,12-10+
InChIKeyFXCXLRLUCUFCIK-VNBACUINSA-N
MW159.23 g/mol
LogP3.03
Rot. Bonds2

About 1-phenyl-N-[(E)-prop-1-enyl]ethanimine

1-phenyl-N-[(E)-prop-1-enyl]ethanimine (PubChem CID 13099167) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-phenyl-N-[(E)-prop-1-enyl]ethanimine.

Molecular Properties

Compound Name1-phenyl-N-[(E)-prop-1-enyl]ethanimine
PubChem CID13099167
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name1-phenyl-N-[(E)-prop-1-enyl]ethanimine
SMILESC/C=C/N=C(\C)c1ccccc1
InChIInChI=1S/C11H13N/c1-3-9-12-10(2)11-7-5-4-6-8-11/h3-9H,1-2H3/b9-3+,12-10+
InChIKeyFXCXLRLUCUFCIK-VNBACUINSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-prop-1-enyl]-1-pyridin-4-ylethanimine
CID 91982748
N'-[(Z)-prop-1-enyl]benzenecarboximidamide
CID 137386486
1-(3-methylphenyl)-N-[(E)-prop-1-enyl]ethanimine
CID 13143516
3-(3-dimethylphosphanylphenyl)-N-(1-phenylethylidene)-N'-[(E)-prop-1-enyl]benzenecarboximidamide
CID 129174487
N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine
CID 126661807
N-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]benzamide
CID 149306381
N-[(2E,4Z)-2-methylhexa-2,4-dienyl]-1-phenylethanimine
CID 144645018
N-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-2-yl]-1-phenylethanimine
CID 144989648
4-phenylhexa-2,4-dien-3-ylbenzene
CID 2802592
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
(E)-N-[(E)-benzylideneamino]-1-phenylethanimine
CID 177482711
N-(2-methyl-1-phenylprop-1-enyl)-1-phenylethanimine
CID 144645391

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(E)-prop-1-enyl]ethanimine?
The IUPAC name of 1-phenyl-N-[(E)-prop-1-enyl]ethanimine (CID 13099167) is 1-phenyl-N-[(E)-prop-1-enyl]ethanimine.
What is the SMILES notation for 1-phenyl-N-[(E)-prop-1-enyl]ethanimine?
The canonical SMILES for 1-phenyl-N-[(E)-prop-1-enyl]ethanimine is C/C=C/N=C(\C)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(E)-prop-1-enyl]ethanimine?
The InChIKey is FXCXLRLUCUFCIK-VNBACUINSA-N. The full InChI is InChI=1S/C11H13N/c1-3-9-12-10(2)11-7-5-4-6-8-11/h3-9H,1-2H3/b9-3+,12-10+.
What are the key properties of 1-phenyl-N-[(E)-prop-1-enyl]ethanimine?
1-phenyl-N-[(E)-prop-1-enyl]ethanimine has a molecular weight of 159.23 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(E)-prop-1-enyl]ethanimine is sourced from PubChem (CID 13099167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).