(Z,3Z)-N-[(Z)-ethylideneamino]penta-1,3-dien-1-imine

C7H10N2 — CID 155467518

IUPAC(Z,3Z)-N-[(Z)-ethylideneamino]penta-1,3-dien-1-imine
SMILESC/C=C\C=C=N/N=C\C
InChIInChI=1S/C7H10N2/c1-3-5-6-7-9-8-4-2/h3-6H,1-2H3/b5-3-,8-4-
InChIKeyMPNPHBLVEVCXPY-ZWWVTPAXSA-N
MW122.17 g/mol
LogP1.79
Rot. Bonds2

About (Z,3Z)-N-[(Z)-ethylideneamino]penta-1,3-dien-1-imine

(Z,3Z)-N-[(Z)-ethylideneamino]penta-1,3-dien-1-imine (PubChem CID 155467518) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (Z,3Z)-N-[(Z)-ethylideneamino]penta-1,3-dien-1-imine.

Molecular Properties

Compound Name(Z,3Z)-N-[(Z)-ethylideneamino]penta-1,3-dien-1-imine
PubChem CID155467518
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(Z,3Z)-N-[(Z)-ethylideneamino]penta-1,3-dien-1-imine
SMILESC/C=C\C=C=N/N=C\C
InChIInChI=1S/C7H10N2/c1-3-5-6-7-9-8-4-2/h3-6H,1-2H3/b5-3-,8-4-
InChIKeyMPNPHBLVEVCXPY-ZWWVTPAXSA-N
XLogP1.79
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-ethylidenehydrazinylidene]-N-(methylideneamino)ethenamine
CID 176521001
(5Z)-hepta-2,3,5-triene
CID 13356362
N-[(1Z)-penta-1,3-dienyl]ethanimine
CID 91245068
(4E)-hexa-2,4-diene
CID 22435466
hepta-1,2,3,5-tetraene
CID 91025831
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
methyl-[(1Z,3Z)-penta-1,3-dienyl]diazene
CID 131966590
N-[(Z)-prop-1-enyl]ethanimine
CID 59954783
potassium;hexa-2,4-diene;hydride
CID 174550949
methane;(2E,4Z,6E)-octa-2,4,6-triene
CID 176713447
ethane;(2E,4E)-hexa-2,4-diene;methane
CID 158840688
(2S,6E)-3-methylocta-3,4,6-trien-2-ol
CID 101236993

Frequently Asked Questions

What is the IUPAC name of (Z,3Z)-N-[(Z)-ethylideneamino]penta-1,3-dien-1-imine?
The IUPAC name of (Z,3Z)-N-[(Z)-ethylideneamino]penta-1,3-dien-1-imine (CID 155467518) is (Z,3Z)-N-[(Z)-ethylideneamino]penta-1,3-dien-1-imine.
What is the SMILES notation for (Z,3Z)-N-[(Z)-ethylideneamino]penta-1,3-dien-1-imine?
The canonical SMILES for (Z,3Z)-N-[(Z)-ethylideneamino]penta-1,3-dien-1-imine is C/C=C\C=C=N/N=C\C.
What is the InChIKey of (Z,3Z)-N-[(Z)-ethylideneamino]penta-1,3-dien-1-imine?
The InChIKey is MPNPHBLVEVCXPY-ZWWVTPAXSA-N. The full InChI is InChI=1S/C7H10N2/c1-3-5-6-7-9-8-4-2/h3-6H,1-2H3/b5-3-,8-4-.
What are the key properties of (Z,3Z)-N-[(Z)-ethylideneamino]penta-1,3-dien-1-imine?
(Z,3Z)-N-[(Z)-ethylideneamino]penta-1,3-dien-1-imine has a molecular weight of 122.17 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3Z)-N-[(Z)-ethylideneamino]penta-1,3-dien-1-imine is sourced from PubChem (CID 155467518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).