2-methoxy-N-methylcyclohepta-2,4-dien-1-imine

C9H13NO — CID 123892133

IUPAC2-methoxy-N-methylcyclohepta-2,4-dien-1-imine
SMILESC/N=C1\CCC=CC=C1OC
InChIInChI=1S/C9H13NO/c1-10-8-6-4-3-5-7-9(8)11-2/h3,5,7H,4,6H2,1-2H3/b10-8+
InChIKeyPVBFZKQJFZIXGT-CSKARUKUSA-N
MW151.21 g/mol
LogP1.94
Rot. Bonds1

About 2-methoxy-N-methylcyclohepta-2,4-dien-1-imine

2-methoxy-N-methylcyclohepta-2,4-dien-1-imine (PubChem CID 123892133) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-methoxy-N-methylcyclohepta-2,4-dien-1-imine.

Molecular Properties

Compound Name2-methoxy-N-methylcyclohepta-2,4-dien-1-imine
PubChem CID123892133
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-methoxy-N-methylcyclohepta-2,4-dien-1-imine
SMILESC/N=C1\CCC=CC=C1OC
InChIInChI=1S/C9H13NO/c1-10-8-6-4-3-5-7-9(8)11-2/h3,5,7H,4,6H2,1-2H3/b10-8+
InChIKeyPVBFZKQJFZIXGT-CSKARUKUSA-N
XLogP1.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.94
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 2-methoxy-N-methylcyclohepta-2,4-dien-1-imine?
The IUPAC name of 2-methoxy-N-methylcyclohepta-2,4-dien-1-imine (CID 123892133) is 2-methoxy-N-methylcyclohepta-2,4-dien-1-imine.
What is the SMILES notation for 2-methoxy-N-methylcyclohepta-2,4-dien-1-imine?
The canonical SMILES for 2-methoxy-N-methylcyclohepta-2,4-dien-1-imine is C/N=C1\CCC=CC=C1OC.
What is the InChIKey of 2-methoxy-N-methylcyclohepta-2,4-dien-1-imine?
The InChIKey is PVBFZKQJFZIXGT-CSKARUKUSA-N. The full InChI is InChI=1S/C9H13NO/c1-10-8-6-4-3-5-7-9(8)11-2/h3,5,7H,4,6H2,1-2H3/b10-8+.
What are the key properties of 2-methoxy-N-methylcyclohepta-2,4-dien-1-imine?
2-methoxy-N-methylcyclohepta-2,4-dien-1-imine has a molecular weight of 151.21 g/mol, XLogP of 1.94, 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-dien-1-imine is sourced from PubChem (CID 123892133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).