2-methoxycyclohepta-2,4,6-trien-1-imine

C8H9NO — CID 10986283

IUPAC2-methoxycyclohepta-2,4,6-trien-1-imine
SMILES[H]/N=c1\cccccc1OC
InChIInChI=1S/C8H9NO/c1-10-8-6-4-2-3-5-7(8)9/h2-6,9H,1H3/b9-7+
InChIKeyKGDZPKGCXAIVRM-VQHVLOKHSA-N
MW135.17 g/mol
LogP1.17
Rot. Bonds1

About 2-methoxycyclohepta-2,4,6-trien-1-imine

2-methoxycyclohepta-2,4,6-trien-1-imine (PubChem CID 10986283) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-methoxycyclohepta-2,4,6-trien-1-imine.

Molecular Properties

Compound Name2-methoxycyclohepta-2,4,6-trien-1-imine
PubChem CID10986283
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2-methoxycyclohepta-2,4,6-trien-1-imine
SMILES[H]/N=c1\cccccc1OC
InChIInChI=1S/C8H9NO/c1-10-8-6-4-2-3-5-7(8)9/h2-6,9H,1H3/b9-7+
InChIKeyKGDZPKGCXAIVRM-VQHVLOKHSA-N
XLogP1.17
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxycyclohepta-2,4,6-trien-1-imine?
The IUPAC name of 2-methoxycyclohepta-2,4,6-trien-1-imine (CID 10986283) is 2-methoxycyclohepta-2,4,6-trien-1-imine.
What is the SMILES notation for 2-methoxycyclohepta-2,4,6-trien-1-imine?
The canonical SMILES for 2-methoxycyclohepta-2,4,6-trien-1-imine is [H]/N=c1\cccccc1OC.
What is the InChIKey of 2-methoxycyclohepta-2,4,6-trien-1-imine?
The InChIKey is KGDZPKGCXAIVRM-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H9NO/c1-10-8-6-4-2-3-5-7(8)9/h2-6,9H,1H3/b9-7+.
What are the key properties of 2-methoxycyclohepta-2,4,6-trien-1-imine?
2-methoxycyclohepta-2,4,6-trien-1-imine has a molecular weight of 135.17 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycyclohepta-2,4,6-trien-1-imine is sourced from PubChem (CID 10986283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).