(6E)-6-(1-methoxybuta-2,3-dienylidene)cyclohexa-2,4-dien-1-imine

C11H11NO — CID 90261421

IUPAC(6E)-6-(1-methoxybuta-2,3-dienylidene)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=C\C1=C(\C=C=C)OC
InChIInChI=1S/C11H11NO/c1-3-6-11(13-2)9-7-4-5-8-10(9)12/h4-8,12H,1H2,2H3/b11-9+,12-10+
InChIKeyPQWCXMPATOJUQC-WGDLNXRISA-N
MW173.21 g/mol
LogP2.37
Rot. Bonds2

About (6E)-6-(1-methoxybuta-2,3-dienylidene)cyclohexa-2,4-dien-1-imine

(6E)-6-(1-methoxybuta-2,3-dienylidene)cyclohexa-2,4-dien-1-imine (PubChem CID 90261421) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is (6E)-6-(1-methoxybuta-2,3-dienylidene)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6E)-6-(1-methoxybuta-2,3-dienylidene)cyclohexa-2,4-dien-1-imine
PubChem CID90261421
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name(6E)-6-(1-methoxybuta-2,3-dienylidene)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=C\C1=C(\C=C=C)OC
InChIInChI=1S/C11H11NO/c1-3-6-11(13-2)9-7-4-5-8-10(9)12/h4-8,12H,1H2,2H3/b11-9+,12-10+
InChIKeyPQWCXMPATOJUQC-WGDLNXRISA-N
XLogP2.37
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-(1-methoxybuta-2,3-dienylidene)cyclohexa-2,4-dien-1-imine?
The IUPAC name of (6E)-6-(1-methoxybuta-2,3-dienylidene)cyclohexa-2,4-dien-1-imine (CID 90261421) is (6E)-6-(1-methoxybuta-2,3-dienylidene)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6E)-6-(1-methoxybuta-2,3-dienylidene)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6E)-6-(1-methoxybuta-2,3-dienylidene)cyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=C\C1=C(\C=C=C)OC.
What is the InChIKey of (6E)-6-(1-methoxybuta-2,3-dienylidene)cyclohexa-2,4-dien-1-imine?
The InChIKey is PQWCXMPATOJUQC-WGDLNXRISA-N. The full InChI is InChI=1S/C11H11NO/c1-3-6-11(13-2)9-7-4-5-8-10(9)12/h4-8,12H,1H2,2H3/b11-9+,12-10+.
What are the key properties of (6E)-6-(1-methoxybuta-2,3-dienylidene)cyclohexa-2,4-dien-1-imine?
(6E)-6-(1-methoxybuta-2,3-dienylidene)cyclohexa-2,4-dien-1-imine has a molecular weight of 173.21 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(1-methoxybuta-2,3-dienylidene)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 90261421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).