3-methoxy-N-methylcyclopent-2-en-1-imine

C7H11NO — CID 13217918

IUPAC3-methoxy-N-methylcyclopent-2-en-1-imine
SMILESC/N=C1/C=C(OC)CC1
InChIInChI=1S/C7H11NO/c1-8-6-3-4-7(5-6)9-2/h5H,3-4H2,1-2H3/b8-6+
InChIKeyNXOVGKJWGYMDSV-SOFGYWHQSA-N
MW125.17 g/mol
LogP1.38
Rot. Bonds1

About 3-methoxy-N-methylcyclopent-2-en-1-imine

3-methoxy-N-methylcyclopent-2-en-1-imine (PubChem CID 13217918) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-methoxy-N-methylcyclopent-2-en-1-imine.

Molecular Properties

Compound Name3-methoxy-N-methylcyclopent-2-en-1-imine
PubChem CID13217918
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3-methoxy-N-methylcyclopent-2-en-1-imine
SMILESC/N=C1/C=C(OC)CC1
InChIInChI=1S/C7H11NO/c1-8-6-3-4-7(5-6)9-2/h5H,3-4H2,1-2H3/b8-6+
InChIKeyNXOVGKJWGYMDSV-SOFGYWHQSA-N
XLogP1.38
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.38
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 3-methoxy-N-methylcyclopent-2-en-1-imine?
The IUPAC name of 3-methoxy-N-methylcyclopent-2-en-1-imine (CID 13217918) is 3-methoxy-N-methylcyclopent-2-en-1-imine.
What is the SMILES notation for 3-methoxy-N-methylcyclopent-2-en-1-imine?
The canonical SMILES for 3-methoxy-N-methylcyclopent-2-en-1-imine is C/N=C1/C=C(OC)CC1.
What is the InChIKey of 3-methoxy-N-methylcyclopent-2-en-1-imine?
The InChIKey is NXOVGKJWGYMDSV-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H11NO/c1-8-6-3-4-7(5-6)9-2/h5H,3-4H2,1-2H3/b8-6+.
What are the key properties of 3-methoxy-N-methylcyclopent-2-en-1-imine?
3-methoxy-N-methylcyclopent-2-en-1-imine has a molecular weight of 125.17 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methylcyclopent-2-en-1-imine is sourced from PubChem (CID 13217918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).