(2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine

C13H17N — CID 102464892

IUPAC(2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine
SMILES[H]/N=C/C=C1/C=C\C(=C\C=C)CCCC1
InChIInChI=1S/C13H17N/c1-2-5-12-6-3-4-7-13(9-8-12)10-11-14/h2,5,8-11,14H,1,3-4,6-7H2/b9-8-,12-5+,13-10+,14-11+
InChIKeyMOGZDHVMRNAWPC-KCRJFXAOSA-N
MW187.29 g/mol
LogP3.80
Rot. Bonds2

About (2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine

(2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine (PubChem CID 102464892) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine.

Molecular Properties

Compound Name(2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine
PubChem CID102464892
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine
SMILES[H]/N=C/C=C1/C=C\C(=C\C=C)CCCC1
InChIInChI=1S/C13H17N/c1-2-5-12-6-3-4-7-13(9-8-12)10-11-14/h2,5,8-11,14H,1,3-4,6-7H2/b9-8-,12-5+,13-10+,14-11+
InChIKeyMOGZDHVMRNAWPC-KCRJFXAOSA-N
XLogP3.80
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine with MolForge

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Related Compounds

(Z)-4-[(3S)-3-fluorocyclohexen-1-yl]but-2-en-1-imine
CID 144984716
(2E,4E,6Z)-4-fluoro-3-methylundeca-2,4,6-trien-1-imine
CID 176928626
Dodec-2-en-1-imine
CID 54566412
(Z)-3-cyclohexa-1,3-dien-1-ylprop-2-en-1-imine
CID 88997044
(Z)-N-methyl-3-prop-1-en-2-yloct-2-en-1-imine
CID 89322701
(E)-3-(4-ethylcyclohexa-1,3-dien-1-yl)hex-2-en-1-imine
CID 89634255
(2Z,6Z)-3,6-bis[(Z)-prop-1-enyl]octa-2,6-diene-1,8-diimine
CID 89805399
3-Ethenylhex-2-en-1-imine
CID 91061644
[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]methanimine
CID 117661450
(Z)-3-(4-ethenyl-2,3-dimethylcyclohexa-1,3-dien-1-yl)prop-2-en-1-imine
CID 118124051
(2Z,4Z)-2-butylhexa-2,4-dien-1-imine
CID 118974505
Dec-2-en-1-imine
CID 123730333

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine?
The IUPAC name of (2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine (CID 102464892) is (2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine.
What is the SMILES notation for (2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine?
The canonical SMILES for (2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine is [H]/N=C/C=C1/C=C\C(=C\C=C)CCCC1.
What is the InChIKey of (2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine?
The InChIKey is MOGZDHVMRNAWPC-KCRJFXAOSA-N. The full InChI is InChI=1S/C13H17N/c1-2-5-12-6-3-4-7-13(9-8-12)10-11-14/h2,5,8-11,14H,1,3-4,6-7H2/b9-8-,12-5+,13-10+,14-11+.
What are the key properties of (2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine?
(2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine has a molecular weight of 187.29 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine is sourced from PubChem (CID 102464892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).