(Z)-N-[(1Z,3E)-hexa-1,3-dienyl]but-2-en-1-imine

C10H15N — CID 142416962

IUPAC(Z)-N-[(1Z,3E)-hexa-1,3-dienyl]but-2-en-1-imine
SMILESC/C=C\C=N\C=C/C=C/CC
InChIInChI=1S/C10H15N/c1-3-5-7-8-10-11-9-6-4-2/h4-10H,3H2,1-2H3/b6-4-,7-5+,10-8-,11-9+
InChIKeyUQFWYBKMEIRIEO-HFOZEFAISA-N
MW149.24 g/mol
LogP3.11
Rot. Bonds4

About (Z)-N-[(1Z,3E)-hexa-1,3-dienyl]but-2-en-1-imine

(Z)-N-[(1Z,3E)-hexa-1,3-dienyl]but-2-en-1-imine (PubChem CID 142416962) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (Z)-N-[(1Z,3E)-hexa-1,3-dienyl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[(1Z,3E)-hexa-1,3-dienyl]but-2-en-1-imine
PubChem CID142416962
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(Z)-N-[(1Z,3E)-hexa-1,3-dienyl]but-2-en-1-imine
SMILESC/C=C\C=N\C=C/C=C/CC
InChIInChI=1S/C10H15N/c1-3-5-7-8-10-11-9-6-4-2/h4-10H,3H2,1-2H3/b6-4-,7-5+,10-8-,11-9+
InChIKeyUQFWYBKMEIRIEO-HFOZEFAISA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.11
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

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CID 21672373
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(4S)-4-methyl-4H-azepine
CID 163665892
(2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine
CID 129196363
(E)-N-ethenyl-3-fluorohex-3-en-1-imine
CID 143495541
(3Z,5E)-5-fluoro-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine
CID 144296874
N-[(3E)-3-fluorohexa-1,3-dien-2-yl]prop-2-en-1-imine
CID 167163288
(Z,E)-N-[(E)-1-fluoroprop-1-enyl]pent-2-en-1-imine
CID 171558229
(1Z,4Z,6Z)-3-benzazocine
CID 23636835
1,7-Diazacyclododeca-1,3,5,7,9,11-hexaene
CID 91264072

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(1Z,3E)-hexa-1,3-dienyl]but-2-en-1-imine?
The IUPAC name of (Z)-N-[(1Z,3E)-hexa-1,3-dienyl]but-2-en-1-imine (CID 142416962) is (Z)-N-[(1Z,3E)-hexa-1,3-dienyl]but-2-en-1-imine.
What is the SMILES notation for (Z)-N-[(1Z,3E)-hexa-1,3-dienyl]but-2-en-1-imine?
The canonical SMILES for (Z)-N-[(1Z,3E)-hexa-1,3-dienyl]but-2-en-1-imine is C/C=C\C=N\C=C/C=C/CC.
What is the InChIKey of (Z)-N-[(1Z,3E)-hexa-1,3-dienyl]but-2-en-1-imine?
The InChIKey is UQFWYBKMEIRIEO-HFOZEFAISA-N. The full InChI is InChI=1S/C10H15N/c1-3-5-7-8-10-11-9-6-4-2/h4-10H,3H2,1-2H3/b6-4-,7-5+,10-8-,11-9+.
What are the key properties of (Z)-N-[(1Z,3E)-hexa-1,3-dienyl]but-2-en-1-imine?
(Z)-N-[(1Z,3E)-hexa-1,3-dienyl]but-2-en-1-imine has a molecular weight of 149.24 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(1Z,3E)-hexa-1,3-dienyl]but-2-en-1-imine is sourced from PubChem (CID 142416962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).