2,3-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine

C12H14N2 — CID 70006995

IUPAC2,3-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine
SMILES[H]/N=C1\C=C/C(=N\[H])C(CC=C)=C1CC=C
InChIInChI=1S/C12H14N2/c1-3-5-9-10(6-4-2)12(14)8-7-11(9)13/h3-4,7-8,13-14H,1-2,5-6H2/b13-11+,14-12+
InChIKeyYAALDVAIGGZMRL-PHEQNACWSA-N
MW186.26 g/mol
LogP3.04
Rot. Bonds4

About 2,3-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine

2,3-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine (PubChem CID 70006995) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2,3-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine.

Molecular Properties

Compound Name2,3-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine
PubChem CID70006995
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2,3-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine
SMILES[H]/N=C1\C=C/C(=N\[H])C(CC=C)=C1CC=C
InChIInChI=1S/C12H14N2/c1-3-5-9-10(6-4-2)12(14)8-7-11(9)13/h3-4,7-8,13-14H,1-2,5-6H2/b13-11+,14-12+
InChIKeyYAALDVAIGGZMRL-PHEQNACWSA-N
XLogP3.04
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Methylenecyclohexa-2,4-dienimine
CID 10909510
Cyclohexenimine
CID 18766735
Toluquinone diimine
CID 57641797
Cyclohex-4-ene-1,3-diimine
CID 101179917
Dibenzocycloheptenimin
CID 129628903
1-Cyclohexa-1,4-dien-1-yl-2,2,2-trifluoroethanimine
CID 123220668
4-(3,4-Diiminocyclohexa-1,5-dien-1-yl)cyclohexa-3,5-diene-1,2-diimine
CID 90903828
Cyclohex-2-en-1-ylideneazanium
CID 135014091
4-Fluoro-6-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-imine
CID 6395985
2-Ethylidenecyclohexan-1-imine
CID 14026307
5-Methylcyclohexa-2,4-dien-1-imine
CID 14398591
4-Methylcyclohexa-2,4-dien-1-imine
CID 14398593

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine?
The IUPAC name of 2,3-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine (CID 70006995) is 2,3-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine.
What is the SMILES notation for 2,3-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine?
The canonical SMILES for 2,3-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine is [H]/N=C1\C=C/C(=N\[H])C(CC=C)=C1CC=C.
What is the InChIKey of 2,3-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine?
The InChIKey is YAALDVAIGGZMRL-PHEQNACWSA-N. The full InChI is InChI=1S/C12H14N2/c1-3-5-9-10(6-4-2)12(14)8-7-11(9)13/h3-4,7-8,13-14H,1-2,5-6H2/b13-11+,14-12+.
What are the key properties of 2,3-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine?
2,3-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine has a molecular weight of 186.26 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine is sourced from PubChem (CID 70006995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).