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

C11H13NO — CID 90160314

IUPAC(6Z)-6-[(E)-but-2-enylidene]-2-methoxycyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C(OC)=CC=C\C1=C\C=C\C
InChIInChI=1S/C11H13NO/c1-3-4-6-9-7-5-8-10(13-2)11(9)12/h3-8,12H,1-2H3/b4-3+,9-6-,12-11-
InChIKeyOHNKNKOTZZSSIP-QMDKVCSISA-N
MW175.23 g/mol
LogP2.61
Rot. Bonds2

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

(6Z)-6-[(E)-but-2-enylidene]-2-methoxycyclohexa-2,4-dien-1-imine (PubChem CID 90160314) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (6Z)-6-[(E)-but-2-enylidene]-2-methoxycyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-6-[(E)-but-2-enylidene]-2-methoxycyclohexa-2,4-dien-1-imine
PubChem CID90160314
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(6Z)-6-[(E)-but-2-enylidene]-2-methoxycyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C(OC)=CC=C\C1=C\C=C\C
InChIInChI=1S/C11H13NO/c1-3-4-6-9-7-5-8-10(13-2)11(9)12/h3-8,12H,1-2H3/b4-3+,9-6-,12-11-
InChIKeyOHNKNKOTZZSSIP-QMDKVCSISA-N
XLogP2.61
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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]-2-methoxycyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-6-[(E)-but-2-enylidene]-2-methoxycyclohexa-2,4-dien-1-imine (CID 90160314) is (6Z)-6-[(E)-but-2-enylidene]-2-methoxycyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-6-[(E)-but-2-enylidene]-2-methoxycyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-6-[(E)-but-2-enylidene]-2-methoxycyclohexa-2,4-dien-1-imine is [H]/N=C1\C(OC)=CC=C\C1=C\C=C\C.
What is the InChIKey of (6Z)-6-[(E)-but-2-enylidene]-2-methoxycyclohexa-2,4-dien-1-imine?
The InChIKey is OHNKNKOTZZSSIP-QMDKVCSISA-N. The full InChI is InChI=1S/C11H13NO/c1-3-4-6-9-7-5-8-10(13-2)11(9)12/h3-8,12H,1-2H3/b4-3+,9-6-,12-11-.
What are the key properties of (6Z)-6-[(E)-but-2-enylidene]-2-methoxycyclohexa-2,4-dien-1-imine?
(6Z)-6-[(E)-but-2-enylidene]-2-methoxycyclohexa-2,4-dien-1-imine has a molecular weight of 175.23 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(E)-but-2-enylidene]-2-methoxycyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 90160314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).