N-[(1Z)-penta-1,3-dienyl]ethanimine

C7H11N — CID 91245068

IUPACN-[(1Z)-penta-1,3-dienyl]ethanimine
SMILESCC=C/C=C\N=C\C
InChIInChI=1S/C7H11N/c1-3-5-6-7-8-4-2/h3-7H,1-2H3/b5-3?,7-6-,8-4+
InChIKeyAMSJLVLLYPAYCP-ZBEUBROMSA-N
MW109.17 g/mol
LogP2.17
Rot. Bonds2

About N-[(1Z)-penta-1,3-dienyl]ethanimine

N-[(1Z)-penta-1,3-dienyl]ethanimine (PubChem CID 91245068) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-[(1Z)-penta-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1Z)-penta-1,3-dienyl]ethanimine
PubChem CID91245068
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-[(1Z)-penta-1,3-dienyl]ethanimine
SMILESCC=C/C=C\N=C\C
InChIInChI=1S/C7H11N/c1-3-5-6-7-8-4-2/h3-7H,1-2H3/b5-3?,7-6-,8-4+
InChIKeyAMSJLVLLYPAYCP-ZBEUBROMSA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.17
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

N'-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide
CID 89357801
N-[(Z)-prop-1-enyl]ethanimine
CID 59954783
methyl-[(1Z,3Z)-penta-1,3-dienyl]diazene
CID 131966590
ethane;N-[(1Z,3Z)-hexa-1,3-dienyl]ethanimine
CID 143330512
N'-ethylidene-N-methylprop-2-ene-1,3-diimine
CID 91250307
(4E)-hexa-2,4-diene
CID 22435466
(2E)-N-[(1Z,3E)-penta-1,3-dienyl]penta-2,4-dien-1-imine
CID 144631744
[(1Z,3Z)-penta-1,3-dienyl]diazene
CID 143919321
(Z)-N-ethenyl-N'-ethylideneprop-2-ene-1,3-diimine
CID 126660383
N-[(1Z,3Z)-5-methylhepta-1,3-dienyl]ethanimine
CID 143743991
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
potassium;hexa-2,4-diene;hydride
CID 174550949

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-penta-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1Z)-penta-1,3-dienyl]ethanimine (CID 91245068) is N-[(1Z)-penta-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1Z)-penta-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1Z)-penta-1,3-dienyl]ethanimine is CC=C/C=C\N=C\C.
What is the InChIKey of N-[(1Z)-penta-1,3-dienyl]ethanimine?
The InChIKey is AMSJLVLLYPAYCP-ZBEUBROMSA-N. The full InChI is InChI=1S/C7H11N/c1-3-5-6-7-8-4-2/h3-7H,1-2H3/b5-3?,7-6-,8-4+.
What are the key properties of N-[(1Z)-penta-1,3-dienyl]ethanimine?
N-[(1Z)-penta-1,3-dienyl]ethanimine has a molecular weight of 109.17 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-penta-1,3-dienyl]ethanimine is sourced from PubChem (CID 91245068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).