(6Z)-2-methoxy-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine

C11H15NO — CID 143158824

IUPAC(6Z)-2-methoxy-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine
SMILESCC/C=C1/C=CC=C(OC)/C1=N\C
InChIInChI=1S/C11H15NO/c1-4-6-9-7-5-8-10(13-3)11(9)12-2/h5-8H,4H2,1-3H3/b9-6-,12-11-
InChIKeyGSWMXEJBUCAATR-KTXOSSPPSA-N
MW177.25 g/mol
LogP2.49
Rot. Bonds2

About (6Z)-2-methoxy-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine

(6Z)-2-methoxy-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine (PubChem CID 143158824) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (6Z)-2-methoxy-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-2-methoxy-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine
PubChem CID143158824
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(6Z)-2-methoxy-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine
SMILESCC/C=C1/C=CC=C(OC)/C1=N\C
InChIInChI=1S/C11H15NO/c1-4-6-9-7-5-8-10(13-3)11(9)12-2/h5-8H,4H2,1-3H3/b9-6-,12-11-
InChIKeyGSWMXEJBUCAATR-KTXOSSPPSA-N
XLogP2.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
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)-2-methoxy-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-2-methoxy-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine (CID 143158824) is (6Z)-2-methoxy-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-2-methoxy-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-2-methoxy-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine is CC/C=C1/C=CC=C(OC)/C1=N\C.
What is the InChIKey of (6Z)-2-methoxy-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is GSWMXEJBUCAATR-KTXOSSPPSA-N. The full InChI is InChI=1S/C11H15NO/c1-4-6-9-7-5-8-10(13-3)11(9)12-2/h5-8H,4H2,1-3H3/b9-6-,12-11-.
What are the key properties of (6Z)-2-methoxy-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine?
(6Z)-2-methoxy-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 177.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2-methoxy-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 143158824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).