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

C13H18N+ — CID 102464891

IUPAChydron;(2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine
SMILES[H+].[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/p+1/b9-8-,12-5+,13-10+,14-11+
InChIKeyMOGZDHVMRNAWPC-KCRJFXAOSA-O
MW188.29 g/mol
LogP3.92
Rot. Bonds2

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

hydron;(2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine (PubChem CID 102464891) has the molecular formula C13H18N+ and a molecular weight of 188.29 g/mol. Its IUPAC name is hydron;(2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine.

Molecular Properties

Compound Namehydron;(2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine
PubChem CID102464891
Molecular FormulaC13H18N+
Molecular Weight188.29 g/mol
Exact Mass188.14
IUPAC Namehydron;(2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine
SMILES[H+].[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/p+1/b9-8-,12-5+,13-10+,14-11+
InChIKeyMOGZDHVMRNAWPC-KCRJFXAOSA-O
XLogP3.92
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydron;(2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine?
The IUPAC name of hydron;(2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine (CID 102464891) is hydron;(2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine.
What is the SMILES notation for hydron;(2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine?
The canonical SMILES for hydron;(2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine is [H+].[H]/N=C/C=C1/C=C\C(=C\C=C)CCCC1.
What is the InChIKey of hydron;(2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine?
The InChIKey is MOGZDHVMRNAWPC-KCRJFXAOSA-O. 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/p+1/b9-8-,12-5+,13-10+,14-11+.
What are the key properties of hydron;(2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine?
hydron;(2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine has a molecular weight of 188.29 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;(2E)-2-[(2Z,4E)-4-prop-2-enylidenecyclooct-2-en-1-ylidene]ethanimine is sourced from PubChem (CID 102464891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).