(6Z)-2-bromo-N-ethenyl-6-ethylidene-3,4-dimethylcyclohexa-2,4-dien-1-imine

C12H14BrN — CID 143987263

IUPAC(6Z)-2-bromo-N-ethenyl-6-ethylidene-3,4-dimethylcyclohexa-2,4-dien-1-imine
SMILESC=C/N=C1\C(Br)=C(C)C(C)=C\C1=C\C
InChIInChI=1S/C12H14BrN/c1-5-10-7-8(3)9(4)11(13)12(10)14-6-2/h5-7H,2H2,1,3-4H3/b10-5-,14-12-
InChIKeyFDHCNEVJVWEVRP-JKRAQSOCSA-N
MW252.15 g/mol
LogP4.15
Rot. Bonds1

About (6Z)-2-bromo-N-ethenyl-6-ethylidene-3,4-dimethylcyclohexa-2,4-dien-1-imine

(6Z)-2-bromo-N-ethenyl-6-ethylidene-3,4-dimethylcyclohexa-2,4-dien-1-imine (PubChem CID 143987263) has the molecular formula C12H14BrN and a molecular weight of 252.15 g/mol. Its IUPAC name is (6Z)-2-bromo-N-ethenyl-6-ethylidene-3,4-dimethylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-2-bromo-N-ethenyl-6-ethylidene-3,4-dimethylcyclohexa-2,4-dien-1-imine
PubChem CID143987263
Molecular FormulaC12H14BrN
Molecular Weight252.15 g/mol
Exact Mass251.03
IUPAC Name(6Z)-2-bromo-N-ethenyl-6-ethylidene-3,4-dimethylcyclohexa-2,4-dien-1-imine
SMILESC=C/N=C1\C(Br)=C(C)C(C)=C\C1=C\C
InChIInChI=1S/C12H14BrN/c1-5-10-7-8(3)9(4)11(13)12(10)14-6-2/h5-7H,2H2,1,3-4H3/b10-5-,14-12-
InChIKeyFDHCNEVJVWEVRP-JKRAQSOCSA-N
XLogP4.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine
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CID 118202701
(Z)-2-[[4-(bromomethyl)-6-methylidenecyclohexa-2,4-dien-1-ylidene]amino]ethenamine
CID 118592363
N-(2-methylbut-1-enyl)-6-methylidenecyclohexa-2,4-dien-1-imine
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2-Ethenyl-3,4-di(ethylidene)pyridine
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Frequently Asked Questions

What is the IUPAC name of (6Z)-2-bromo-N-ethenyl-6-ethylidene-3,4-dimethylcyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-2-bromo-N-ethenyl-6-ethylidene-3,4-dimethylcyclohexa-2,4-dien-1-imine (CID 143987263) is (6Z)-2-bromo-N-ethenyl-6-ethylidene-3,4-dimethylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-2-bromo-N-ethenyl-6-ethylidene-3,4-dimethylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-2-bromo-N-ethenyl-6-ethylidene-3,4-dimethylcyclohexa-2,4-dien-1-imine is C=C/N=C1\C(Br)=C(C)C(C)=C\C1=C\C.
What is the InChIKey of (6Z)-2-bromo-N-ethenyl-6-ethylidene-3,4-dimethylcyclohexa-2,4-dien-1-imine?
The InChIKey is FDHCNEVJVWEVRP-JKRAQSOCSA-N. The full InChI is InChI=1S/C12H14BrN/c1-5-10-7-8(3)9(4)11(13)12(10)14-6-2/h5-7H,2H2,1,3-4H3/b10-5-,14-12-.
What are the key properties of (6Z)-2-bromo-N-ethenyl-6-ethylidene-3,4-dimethylcyclohexa-2,4-dien-1-imine?
(6Z)-2-bromo-N-ethenyl-6-ethylidene-3,4-dimethylcyclohexa-2,4-dien-1-imine has a molecular weight of 252.15 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2-bromo-N-ethenyl-6-ethylidene-3,4-dimethylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 143987263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).