(6E)-6-(1-bromopropylidene)-N-methylcyclohexa-2,4-dien-1-imine

C10H12BrN — CID 142308260

IUPAC(6E)-6-(1-bromopropylidene)-N-methylcyclohexa-2,4-dien-1-imine
SMILESCC/C(Br)=C1/C=CC=C/C1=N\C
InChIInChI=1S/C10H12BrN/c1-3-9(11)8-6-4-5-7-10(8)12-2/h4-7H,3H2,1-2H3/b9-8+,12-10+
InChIKeyTZDVHXIXSQBXGI-CDKJVOIVSA-N
MW226.12 g/mol
LogP3.24
Rot. Bonds1

About (6E)-6-(1-bromopropylidene)-N-methylcyclohexa-2,4-dien-1-imine

(6E)-6-(1-bromopropylidene)-N-methylcyclohexa-2,4-dien-1-imine (PubChem CID 142308260) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is (6E)-6-(1-bromopropylidene)-N-methylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6E)-6-(1-bromopropylidene)-N-methylcyclohexa-2,4-dien-1-imine
PubChem CID142308260
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name(6E)-6-(1-bromopropylidene)-N-methylcyclohexa-2,4-dien-1-imine
SMILESCC/C(Br)=C1/C=CC=C/C1=N\C
InChIInChI=1S/C10H12BrN/c1-3-9(11)8-6-4-5-7-10(8)12-2/h4-7H,3H2,1-2H3/b9-8+,12-10+
InChIKeyTZDVHXIXSQBXGI-CDKJVOIVSA-N
XLogP3.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 53.24
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

(6Z)-4-bromo-3-fluoro-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine
CID 177017589
4-Bromo-2,2-dimethylbenzimidazole
CID 20537802
4-Bromo-3,5-dimethylcyclohexa-2,4-dien-1-imine
CID 21335501
N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 21859815
5-Bromo-2,3-dihydroquinoline
CID 22042156
1-N,2-N,4-trimethylcyclohexa-3,5-diene-1,2-diimine
CID 53921814
3,6-dibromo-1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine
CID 59207615
1-cyclohexa-1,3-dien-1-yl-N-methylethanimine
CID 59809510
N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
CID 66781145
(6Z)-6-ethylidene-N-methylcyclohexa-2,4-dien-1-imine
CID 70313547
(3E)-8-bromo-3-ethylidene-2H-quinoline
CID 70930194
5-[(Z)-but-1-enyl]-6-methyl-2,3-dihydropyridine
CID 89212432

Frequently Asked Questions

What is the IUPAC name of (6E)-6-(1-bromopropylidene)-N-methylcyclohexa-2,4-dien-1-imine?
The IUPAC name of (6E)-6-(1-bromopropylidene)-N-methylcyclohexa-2,4-dien-1-imine (CID 142308260) is (6E)-6-(1-bromopropylidene)-N-methylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6E)-6-(1-bromopropylidene)-N-methylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6E)-6-(1-bromopropylidene)-N-methylcyclohexa-2,4-dien-1-imine is CC/C(Br)=C1/C=CC=C/C1=N\C.
What is the InChIKey of (6E)-6-(1-bromopropylidene)-N-methylcyclohexa-2,4-dien-1-imine?
The InChIKey is TZDVHXIXSQBXGI-CDKJVOIVSA-N. The full InChI is InChI=1S/C10H12BrN/c1-3-9(11)8-6-4-5-7-10(8)12-2/h4-7H,3H2,1-2H3/b9-8+,12-10+.
What are the key properties of (6E)-6-(1-bromopropylidene)-N-methylcyclohexa-2,4-dien-1-imine?
(6E)-6-(1-bromopropylidene)-N-methylcyclohexa-2,4-dien-1-imine has a molecular weight of 226.12 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(1-bromopropylidene)-N-methylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 142308260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).