N-methoxycyclohepta-3,5-dien-1-imine

C8H11NO — CID 10011957

IUPACN-methoxycyclohepta-3,5-dien-1-imine
SMILESCON=C1CC=CC=CC1
InChIInChI=1S/C8H11NO/c1-10-9-8-6-4-2-3-5-7-8/h2-5H,6-7H2,1H3
InChIKeyYURKWPKDPCFTAI-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.89
Rot. Bonds1

About N-methoxycyclohepta-3,5-dien-1-imine

N-methoxycyclohepta-3,5-dien-1-imine (PubChem CID 10011957) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is N-methoxycyclohepta-3,5-dien-1-imine.

Molecular Properties

Compound NameN-methoxycyclohepta-3,5-dien-1-imine
PubChem CID10011957
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC NameN-methoxycyclohepta-3,5-dien-1-imine
SMILESCON=C1CC=CC=CC1
InChIInChI=1S/C8H11NO/c1-10-9-8-6-4-2-3-5-7-8/h2-5H,6-7H2,1H3
InChIKeyYURKWPKDPCFTAI-UHFFFAOYSA-N
XLogP1.89
TPSA21.59 Ų
H-Bond Donors
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 ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxycyclohepta-3,5-dien-1-imine?
The IUPAC name of N-methoxycyclohepta-3,5-dien-1-imine (CID 10011957) is N-methoxycyclohepta-3,5-dien-1-imine.
What is the SMILES notation for N-methoxycyclohepta-3,5-dien-1-imine?
The canonical SMILES for N-methoxycyclohepta-3,5-dien-1-imine is CON=C1CC=CC=CC1.
What is the InChIKey of N-methoxycyclohepta-3,5-dien-1-imine?
The InChIKey is YURKWPKDPCFTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-10-9-8-6-4-2-3-5-7-8/h2-5H,6-7H2,1H3.
What are the key properties of N-methoxycyclohepta-3,5-dien-1-imine?
N-methoxycyclohepta-3,5-dien-1-imine has a molecular weight of 137.18 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxycyclohepta-3,5-dien-1-imine is sourced from PubChem (CID 10011957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).