2-methoxy-N-methylcyclohepta-2,4,6-trien-1-imine

C9H11NO — CID 134995330

IUPAC2-methoxy-N-methylcyclohepta-2,4,6-trien-1-imine
SMILESC/N=c1\cccccc1OC
InChIInChI=1S/C9H11NO/c1-10-8-6-4-3-5-7-9(8)11-2/h3-7H,1-2H3/b10-8+
InChIKeyWWCHZWVSIYSNJL-CSKARUKUSA-N
MW149.19 g/mol
LogP1.23
Rot. Bonds1

About 2-methoxy-N-methylcyclohepta-2,4,6-trien-1-imine

2-methoxy-N-methylcyclohepta-2,4,6-trien-1-imine (PubChem CID 134995330) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-methoxy-N-methylcyclohepta-2,4,6-trien-1-imine.

Molecular Properties

Compound Name2-methoxy-N-methylcyclohepta-2,4,6-trien-1-imine
PubChem CID134995330
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-methoxy-N-methylcyclohepta-2,4,6-trien-1-imine
SMILESC/N=c1\cccccc1OC
InChIInChI=1S/C9H11NO/c1-10-8-6-4-3-5-7-9(8)11-2/h3-7H,1-2H3/b10-8+
InChIKeyWWCHZWVSIYSNJL-CSKARUKUSA-N
XLogP1.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methylcyclohepta-2,4,6-trien-1-imine?
The IUPAC name of 2-methoxy-N-methylcyclohepta-2,4,6-trien-1-imine (CID 134995330) is 2-methoxy-N-methylcyclohepta-2,4,6-trien-1-imine.
What is the SMILES notation for 2-methoxy-N-methylcyclohepta-2,4,6-trien-1-imine?
The canonical SMILES for 2-methoxy-N-methylcyclohepta-2,4,6-trien-1-imine is C/N=c1\cccccc1OC.
What is the InChIKey of 2-methoxy-N-methylcyclohepta-2,4,6-trien-1-imine?
The InChIKey is WWCHZWVSIYSNJL-CSKARUKUSA-N. The full InChI is InChI=1S/C9H11NO/c1-10-8-6-4-3-5-7-9(8)11-2/h3-7H,1-2H3/b10-8+.
What are the key properties of 2-methoxy-N-methylcyclohepta-2,4,6-trien-1-imine?
2-methoxy-N-methylcyclohepta-2,4,6-trien-1-imine has a molecular weight of 149.19 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methylcyclohepta-2,4,6-trien-1-imine is sourced from PubChem (CID 134995330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).