(2Z,5E)-N-(3-ethenyl-7-bicyclo[4.1.0]hepta-1,6-dienyl)octa-2,5-dien-4-imine

C17H21N — CID 123608175

IUPAC(2Z,5E)-N-(3-ethenyl-7-bicyclo[4.1.0]hepta-1,6-dienyl)octa-2,5-dien-4-imine
SMILESC=CC1C=C2C(=C2/N=C(\C=C/C)/C=C/CC)CC1
InChIInChI=1S/C17H21N/c1-4-7-9-14(8-5-2)18-17-15-11-10-13(6-3)12-16(15)17/h5-9,12-13H,3-4,10-11H2,1-2H3/b8-5-,9-7+,18-14+
InChIKeyVHHGGZSVPWUYJJ-MKEHKKBDSA-N
MW239.36 g/mol
LogP4.76
Rot. Bonds5

About (2Z,5E)-N-(3-ethenyl-7-bicyclo[4.1.0]hepta-1,6-dienyl)octa-2,5-dien-4-imine

(2Z,5E)-N-(3-ethenyl-7-bicyclo[4.1.0]hepta-1,6-dienyl)octa-2,5-dien-4-imine (PubChem CID 123608175) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is (2Z,5E)-N-(3-ethenyl-7-bicyclo[4.1.0]hepta-1,6-dienyl)octa-2,5-dien-4-imine.

Molecular Properties

Compound Name(2Z,5E)-N-(3-ethenyl-7-bicyclo[4.1.0]hepta-1,6-dienyl)octa-2,5-dien-4-imine
PubChem CID123608175
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name(2Z,5E)-N-(3-ethenyl-7-bicyclo[4.1.0]hepta-1,6-dienyl)octa-2,5-dien-4-imine
SMILESC=CC1C=C2C(=C2/N=C(\C=C/C)/C=C/CC)CC1
InChIInChI=1S/C17H21N/c1-4-7-9-14(8-5-2)18-17-15-11-10-13(6-3)12-16(15)17/h5-9,12-13H,3-4,10-11H2,1-2H3/b8-5-,9-7+,18-14+
InChIKeyVHHGGZSVPWUYJJ-MKEHKKBDSA-N
XLogP4.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,5E)-N-(3-ethenyl-7-bicyclo[4.1.0]hepta-1,6-dienyl)octa-2,5-dien-4-imine with MolForge

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Related Compounds

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4-Hepta-2,4-dien-4-yl-2-hept-1-en-2-yl-6-pent-4-enyl-3,4-dihydropyridine
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(Z,5E)-5-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-8-methylnon-2-en-4-imine
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(2E,3Z)-3-but-3-enylidene-2-ethylidene-4-methyl-6,7-dihydro-5H-cyclohepta[b]pyridine
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(2E,3Z)-5-[(Z)-but-1-enyl]-2,3-di(ethylidene)-6-[(E)-prop-1-enyl]-4-(5-prop-2-enylcyclohepta-1,3,6-trien-1-yl)pyridine
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CID 132094818
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N-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-prop-1-en-2-ylcyclopenten-1-yl]-1-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine
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Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-N-(3-ethenyl-7-bicyclo[4.1.0]hepta-1,6-dienyl)octa-2,5-dien-4-imine?
The IUPAC name of (2Z,5E)-N-(3-ethenyl-7-bicyclo[4.1.0]hepta-1,6-dienyl)octa-2,5-dien-4-imine (CID 123608175) is (2Z,5E)-N-(3-ethenyl-7-bicyclo[4.1.0]hepta-1,6-dienyl)octa-2,5-dien-4-imine.
What is the SMILES notation for (2Z,5E)-N-(3-ethenyl-7-bicyclo[4.1.0]hepta-1,6-dienyl)octa-2,5-dien-4-imine?
The canonical SMILES for (2Z,5E)-N-(3-ethenyl-7-bicyclo[4.1.0]hepta-1,6-dienyl)octa-2,5-dien-4-imine is C=CC1C=C2C(=C2/N=C(\C=C/C)/C=C/CC)CC1.
What is the InChIKey of (2Z,5E)-N-(3-ethenyl-7-bicyclo[4.1.0]hepta-1,6-dienyl)octa-2,5-dien-4-imine?
The InChIKey is VHHGGZSVPWUYJJ-MKEHKKBDSA-N. The full InChI is InChI=1S/C17H21N/c1-4-7-9-14(8-5-2)18-17-15-11-10-13(6-3)12-16(15)17/h5-9,12-13H,3-4,10-11H2,1-2H3/b8-5-,9-7+,18-14+.
What are the key properties of (2Z,5E)-N-(3-ethenyl-7-bicyclo[4.1.0]hepta-1,6-dienyl)octa-2,5-dien-4-imine?
(2Z,5E)-N-(3-ethenyl-7-bicyclo[4.1.0]hepta-1,6-dienyl)octa-2,5-dien-4-imine has a molecular weight of 239.36 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-N-(3-ethenyl-7-bicyclo[4.1.0]hepta-1,6-dienyl)octa-2,5-dien-4-imine is sourced from PubChem (CID 123608175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).