(2E)-N-[(1Z,3E)-penta-1,3-dienyl]penta-2,4-dien-1-imine

C10H13N — CID 144631744

IUPAC(2E)-N-[(1Z,3E)-penta-1,3-dienyl]penta-2,4-dien-1-imine
SMILESC=C/C=C/C=N/C=C\C=C\C
InChIInChI=1S/C10H13N/c1-3-5-7-9-11-10-8-6-4-2/h3-10H,1H2,2H3/b6-4+,7-5+,10-8-,11-9+
InChIKeyDRDGMFZOOLXDBJ-QEJIHUNISA-N
MW147.22 g/mol
LogP2.89
Rot. Bonds4

About (2E)-N-[(1Z,3E)-penta-1,3-dienyl]penta-2,4-dien-1-imine

(2E)-N-[(1Z,3E)-penta-1,3-dienyl]penta-2,4-dien-1-imine (PubChem CID 144631744) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (2E)-N-[(1Z,3E)-penta-1,3-dienyl]penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-N-[(1Z,3E)-penta-1,3-dienyl]penta-2,4-dien-1-imine
PubChem CID144631744
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(2E)-N-[(1Z,3E)-penta-1,3-dienyl]penta-2,4-dien-1-imine
SMILESC=C/C=C/C=N/C=C\C=C\C
InChIInChI=1S/C10H13N/c1-3-5-7-9-11-10-8-6-4-2/h3-10H,1H2,2H3/b6-4+,7-5+,10-8-,11-9+
InChIKeyDRDGMFZOOLXDBJ-QEJIHUNISA-N
XLogP2.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.89
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

hendecahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109-pentapentacontaene
CID 90980447
(3Z,5Z,7Z)-nona-1,3,5,7-tetraene
CID 142107370
pentahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103-dopentacontaene
CID 90936747
pentahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63-dotriacontaene
CID 90694623
pentacosahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123-dohexacontaene
CID 91034830
heptaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85-tritetracontaene
CID 91440201
(3E,5E,7E)-nona-1,3,5,7-tetraene
CID 15570287
(3Z,5Z)-hepta-1,3,5-triene;methane
CID 143380753
ethane;(3Z,5Z)-hepta-1,3,5-triene
CID 123557011
ethane;(2Z)-N-ethenylpenta-2,4-dien-1-imine
CID 142114329
N-[(1Z)-penta-1,3-dienyl]ethanimine
CID 91245068
(3E)-penta-1,3-diene
CID 71777643

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[(1Z,3E)-penta-1,3-dienyl]penta-2,4-dien-1-imine?
The IUPAC name of (2E)-N-[(1Z,3E)-penta-1,3-dienyl]penta-2,4-dien-1-imine (CID 144631744) is (2E)-N-[(1Z,3E)-penta-1,3-dienyl]penta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-N-[(1Z,3E)-penta-1,3-dienyl]penta-2,4-dien-1-imine?
The canonical SMILES for (2E)-N-[(1Z,3E)-penta-1,3-dienyl]penta-2,4-dien-1-imine is C=C/C=C/C=N/C=C\C=C\C.
What is the InChIKey of (2E)-N-[(1Z,3E)-penta-1,3-dienyl]penta-2,4-dien-1-imine?
The InChIKey is DRDGMFZOOLXDBJ-QEJIHUNISA-N. The full InChI is InChI=1S/C10H13N/c1-3-5-7-9-11-10-8-6-4-2/h3-10H,1H2,2H3/b6-4+,7-5+,10-8-,11-9+.
What are the key properties of (2E)-N-[(1Z,3E)-penta-1,3-dienyl]penta-2,4-dien-1-imine?
(2E)-N-[(1Z,3E)-penta-1,3-dienyl]penta-2,4-dien-1-imine has a molecular weight of 147.22 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[(1Z,3E)-penta-1,3-dienyl]penta-2,4-dien-1-imine is sourced from PubChem (CID 144631744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).