(6Z)-6-[(E)-but-2-enylidene]-N-methylcyclohexa-2,4-dien-1-imine

C11H13N — CID 89324121

IUPAC(6Z)-6-[(E)-but-2-enylidene]-N-methylcyclohexa-2,4-dien-1-imine
SMILESC/C=C/C=C1/C=CC=C/C1=N\C
InChIInChI=1S/C11H13N/c1-3-4-7-10-8-5-6-9-11(10)12-2/h3-9H,1-2H3/b4-3+,10-7-,12-11+
InChIKeySRDHCJGOXUYMFB-VHUFTWSTSA-N
MW159.23 g/mol
LogP2.69
Rot. Bonds1

About (6Z)-6-[(E)-but-2-enylidene]-N-methylcyclohexa-2,4-dien-1-imine

(6Z)-6-[(E)-but-2-enylidene]-N-methylcyclohexa-2,4-dien-1-imine (PubChem CID 89324121) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is (6Z)-6-[(E)-but-2-enylidene]-N-methylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-6-[(E)-but-2-enylidene]-N-methylcyclohexa-2,4-dien-1-imine
PubChem CID89324121
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name(6Z)-6-[(E)-but-2-enylidene]-N-methylcyclohexa-2,4-dien-1-imine
SMILESC/C=C/C=C1/C=CC=C/C1=N\C
InChIInChI=1S/C11H13N/c1-3-4-7-10-8-5-6-9-11(10)12-2/h3-9H,1-2H3/b4-3+,10-7-,12-11+
InChIKeySRDHCJGOXUYMFB-VHUFTWSTSA-N
XLogP2.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.69
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)-6-[(E)-but-2-enylidene]-N-methylcyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-6-[(E)-but-2-enylidene]-N-methylcyclohexa-2,4-dien-1-imine (CID 89324121) is (6Z)-6-[(E)-but-2-enylidene]-N-methylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-6-[(E)-but-2-enylidene]-N-methylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-6-[(E)-but-2-enylidene]-N-methylcyclohexa-2,4-dien-1-imine is C/C=C/C=C1/C=CC=C/C1=N\C.
What is the InChIKey of (6Z)-6-[(E)-but-2-enylidene]-N-methylcyclohexa-2,4-dien-1-imine?
The InChIKey is SRDHCJGOXUYMFB-VHUFTWSTSA-N. The full InChI is InChI=1S/C11H13N/c1-3-4-7-10-8-5-6-9-11(10)12-2/h3-9H,1-2H3/b4-3+,10-7-,12-11+.
What are the key properties of (6Z)-6-[(E)-but-2-enylidene]-N-methylcyclohexa-2,4-dien-1-imine?
(6Z)-6-[(E)-but-2-enylidene]-N-methylcyclohexa-2,4-dien-1-imine has a molecular weight of 159.23 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(E)-but-2-enylidene]-N-methylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 89324121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).