(6Z)-4-bromo-N-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine

C10H10BrN — CID 142049390

IUPAC(6Z)-4-bromo-N-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine
SMILESC=C/C=C1/C=C(Br)C=C/C1=N\C
InChIInChI=1S/C10H10BrN/c1-3-4-8-7-9(11)5-6-10(8)12-2/h3-7H,1H2,2H3/b8-4-,12-10+
InChIKeyOCYAFUZNHDYNIX-DIXMKNLJSA-N
MW224.10 g/mol
LogP3.02
Rot. Bonds1

About (6Z)-4-bromo-N-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine

(6Z)-4-bromo-N-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine (PubChem CID 142049390) has the molecular formula C10H10BrN and a molecular weight of 224.10 g/mol. Its IUPAC name is (6Z)-4-bromo-N-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-4-bromo-N-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine
PubChem CID142049390
Molecular FormulaC10H10BrN
Molecular Weight224.10 g/mol
Exact Mass223.00
IUPAC Name(6Z)-4-bromo-N-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine
SMILESC=C/C=C1/C=C(Br)C=C/C1=N\C
InChIInChI=1S/C10H10BrN/c1-3-4-8-7-9(11)5-6-10(8)12-2/h3-7H,1H2,2H3/b8-4-,12-10+
InChIKeyOCYAFUZNHDYNIX-DIXMKNLJSA-N
XLogP3.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 53.02
H-Bond Donors ≤ 50
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 (6Z)-4-bromo-N-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-4-bromo-N-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine (CID 142049390) is (6Z)-4-bromo-N-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-4-bromo-N-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-4-bromo-N-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine is C=C/C=C1/C=C(Br)C=C/C1=N\C.
What is the InChIKey of (6Z)-4-bromo-N-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is OCYAFUZNHDYNIX-DIXMKNLJSA-N. The full InChI is InChI=1S/C10H10BrN/c1-3-4-8-7-9(11)5-6-10(8)12-2/h3-7H,1H2,2H3/b8-4-,12-10+.
What are the key properties of (6Z)-4-bromo-N-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine?
(6Z)-4-bromo-N-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 224.10 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-4-bromo-N-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 142049390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).