3-ethyl-N-methylcyclopent-2-en-4-yn-1-imine

C8H9N — CID 123701711

IUPAC3-ethyl-N-methylcyclopent-2-en-4-yn-1-imine
SMILESCCC1=C/C(=N/C)C#C1
InChIInChI=1S/C8H9N/c1-3-7-4-5-8(6-7)9-2/h6H,3H2,1-2H3/b9-8+
InChIKeyFJJNGPYWZPUDDK-CMDGGOBGSA-N
MW119.17 g/mol
LogP1.41
Rot. Bonds1

About 3-ethyl-N-methylcyclopent-2-en-4-yn-1-imine

3-ethyl-N-methylcyclopent-2-en-4-yn-1-imine (PubChem CID 123701711) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 3-ethyl-N-methylcyclopent-2-en-4-yn-1-imine.

Molecular Properties

Compound Name3-ethyl-N-methylcyclopent-2-en-4-yn-1-imine
PubChem CID123701711
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name3-ethyl-N-methylcyclopent-2-en-4-yn-1-imine
SMILESCCC1=C/C(=N/C)C#C1
InChIInChI=1S/C8H9N/c1-3-7-4-5-8(6-7)9-2/h6H,3H2,1-2H3/b9-8+
InChIKeyFJJNGPYWZPUDDK-CMDGGOBGSA-N
XLogP1.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-2H-pyrrole
CID 20653105
N,4-dimethylpent-3-en-2-imine
CID 20725565
6-Prop-1-ynyl-2,3-dihydropyridine
CID 89208641
(E)-N,4-dimethylhex-3-en-2-imine
CID 89965377
(E)-N,4-dimethylhex-3-en-5-yn-2-imine
CID 91053481
N,4-dimethylhex-3-en-2-imine
CID 91494846
N-ethyl-4-methylpent-3-en-2-imine
CID 122468271
N,3-dimethylhepta-3,6-dien-2-imine
CID 123241993
N-methylhex-4-en-1-yn-3-imine
CID 123279994
N-ethyl-3-methylpent-3-en-2-imine
CID 123466297
(E)-N-ethyl-4-methylhex-3-en-2-imine
CID 123799027
N,6-dimethylhept-4-en-1-yn-3-imine
CID 123838909

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methylcyclopent-2-en-4-yn-1-imine?
The IUPAC name of 3-ethyl-N-methylcyclopent-2-en-4-yn-1-imine (CID 123701711) is 3-ethyl-N-methylcyclopent-2-en-4-yn-1-imine.
What is the SMILES notation for 3-ethyl-N-methylcyclopent-2-en-4-yn-1-imine?
The canonical SMILES for 3-ethyl-N-methylcyclopent-2-en-4-yn-1-imine is CCC1=C/C(=N/C)C#C1.
What is the InChIKey of 3-ethyl-N-methylcyclopent-2-en-4-yn-1-imine?
The InChIKey is FJJNGPYWZPUDDK-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H9N/c1-3-7-4-5-8(6-7)9-2/h6H,3H2,1-2H3/b9-8+.
What are the key properties of 3-ethyl-N-methylcyclopent-2-en-4-yn-1-imine?
3-ethyl-N-methylcyclopent-2-en-4-yn-1-imine has a molecular weight of 119.17 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methylcyclopent-2-en-4-yn-1-imine is sourced from PubChem (CID 123701711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).