(E)-N-ethoxy-3-methylcyclopent-2-en-1-imine

C8H13NO — CID 58591612

IUPAC(E)-N-ethoxy-3-methylcyclopent-2-en-1-imine
SMILESCCO/N=C1/C=C(C)CC1
InChIInChI=1S/C8H13NO/c1-3-10-9-8-5-4-7(2)6-8/h6H,3-5H2,1-2H3/b9-8+
InChIKeyIHFVWEAUNXCMCJ-CMDGGOBGSA-N
MW139.20 g/mol
LogP2.12
Rot. Bonds2

About (E)-N-ethoxy-3-methylcyclopent-2-en-1-imine

(E)-N-ethoxy-3-methylcyclopent-2-en-1-imine (PubChem CID 58591612) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (E)-N-ethoxy-3-methylcyclopent-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-ethoxy-3-methylcyclopent-2-en-1-imine
PubChem CID58591612
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(E)-N-ethoxy-3-methylcyclopent-2-en-1-imine
SMILESCCO/N=C1/C=C(C)CC1
InChIInChI=1S/C8H13NO/c1-3-10-9-8-5-4-7(2)6-8/h6H,3-5H2,1-2H3/b9-8+
InChIKeyIHFVWEAUNXCMCJ-CMDGGOBGSA-N
XLogP2.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.12
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 (E)-N-ethoxy-3-methylcyclopent-2-en-1-imine?
The IUPAC name of (E)-N-ethoxy-3-methylcyclopent-2-en-1-imine (CID 58591612) is (E)-N-ethoxy-3-methylcyclopent-2-en-1-imine.
What is the SMILES notation for (E)-N-ethoxy-3-methylcyclopent-2-en-1-imine?
The canonical SMILES for (E)-N-ethoxy-3-methylcyclopent-2-en-1-imine is CCO/N=C1/C=C(C)CC1.
What is the InChIKey of (E)-N-ethoxy-3-methylcyclopent-2-en-1-imine?
The InChIKey is IHFVWEAUNXCMCJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-10-9-8-5-4-7(2)6-8/h6H,3-5H2,1-2H3/b9-8+.
What are the key properties of (E)-N-ethoxy-3-methylcyclopent-2-en-1-imine?
(E)-N-ethoxy-3-methylcyclopent-2-en-1-imine has a molecular weight of 139.20 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethoxy-3-methylcyclopent-2-en-1-imine is sourced from PubChem (CID 58591612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).