4-methoxycyclohepta-2,4-dien-1-imine

C8H11NO — CID 123319191

IUPAC4-methoxycyclohepta-2,4-dien-1-imine
SMILES[H]/N=C1/C=CC(OC)=CCC1
InChIInChI=1S/C8H11NO/c1-10-8-4-2-3-7(9)5-6-8/h4-6,9H,2-3H2,1H3/b9-7+
InChIKeyIUZONUYWNNZMLR-VQHVLOKHSA-N
MW137.18 g/mol
LogP1.89
Rot. Bonds1

About 4-methoxycyclohepta-2,4-dien-1-imine

4-methoxycyclohepta-2,4-dien-1-imine (PubChem CID 123319191) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 4-methoxycyclohepta-2,4-dien-1-imine.

Molecular Properties

Compound Name4-methoxycyclohepta-2,4-dien-1-imine
PubChem CID123319191
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name4-methoxycyclohepta-2,4-dien-1-imine
SMILES[H]/N=C1/C=CC(OC)=CCC1
InChIInChI=1S/C8H11NO/c1-10-8-4-2-3-7(9)5-6-8/h4-6,9H,2-3H2,1H3/b9-7+
InChIKeyIUZONUYWNNZMLR-VQHVLOKHSA-N
XLogP1.89
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.89
H-Bond Donors ≤ 51
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 4-methoxycyclohepta-2,4-dien-1-imine?
The IUPAC name of 4-methoxycyclohepta-2,4-dien-1-imine (CID 123319191) is 4-methoxycyclohepta-2,4-dien-1-imine.
What is the SMILES notation for 4-methoxycyclohepta-2,4-dien-1-imine?
The canonical SMILES for 4-methoxycyclohepta-2,4-dien-1-imine is [H]/N=C1/C=CC(OC)=CCC1.
What is the InChIKey of 4-methoxycyclohepta-2,4-dien-1-imine?
The InChIKey is IUZONUYWNNZMLR-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H11NO/c1-10-8-4-2-3-7(9)5-6-8/h4-6,9H,2-3H2,1H3/b9-7+.
What are the key properties of 4-methoxycyclohepta-2,4-dien-1-imine?
4-methoxycyclohepta-2,4-dien-1-imine has a molecular weight of 137.18 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycyclohepta-2,4-dien-1-imine is sourced from PubChem (CID 123319191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).