(E)-1-cyclopentyl-N-prop-2-enoxybutan-1-imine

C12H21NO — CID 89059219

IUPAC(E)-1-cyclopentyl-N-prop-2-enoxybutan-1-imine
SMILESC=CCO/N=C(\CCC)C1CCCC1
InChIInChI=1S/C12H21NO/c1-3-7-12(13-14-10-4-2)11-8-5-6-9-11/h4,11H,2-3,5-10H2,1H3/b13-12+
InChIKeyYWYDXUPJBWDHQK-OUKQBFOZSA-N
MW195.31 g/mol
LogP3.54
Rot. Bonds6

About (E)-1-cyclopentyl-N-prop-2-enoxybutan-1-imine

(E)-1-cyclopentyl-N-prop-2-enoxybutan-1-imine (PubChem CID 89059219) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (E)-1-cyclopentyl-N-prop-2-enoxybutan-1-imine.

Molecular Properties

Compound Name(E)-1-cyclopentyl-N-prop-2-enoxybutan-1-imine
PubChem CID89059219
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(E)-1-cyclopentyl-N-prop-2-enoxybutan-1-imine
SMILESC=CCO/N=C(\CCC)C1CCCC1
InChIInChI=1S/C12H21NO/c1-3-7-12(13-14-10-4-2)11-8-5-6-9-11/h4,11H,2-3,5-10H2,1H3/b13-12+
InChIKeyYWYDXUPJBWDHQK-OUKQBFOZSA-N
XLogP3.54
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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)-1-cyclopentyl-N-prop-2-enoxybutan-1-imine?
The IUPAC name of (E)-1-cyclopentyl-N-prop-2-enoxybutan-1-imine (CID 89059219) is (E)-1-cyclopentyl-N-prop-2-enoxybutan-1-imine.
What is the SMILES notation for (E)-1-cyclopentyl-N-prop-2-enoxybutan-1-imine?
The canonical SMILES for (E)-1-cyclopentyl-N-prop-2-enoxybutan-1-imine is C=CCO/N=C(\CCC)C1CCCC1.
What is the InChIKey of (E)-1-cyclopentyl-N-prop-2-enoxybutan-1-imine?
The InChIKey is YWYDXUPJBWDHQK-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-7-12(13-14-10-4-2)11-8-5-6-9-11/h4,11H,2-3,5-10H2,1H3/b13-12+.
What are the key properties of (E)-1-cyclopentyl-N-prop-2-enoxybutan-1-imine?
(E)-1-cyclopentyl-N-prop-2-enoxybutan-1-imine has a molecular weight of 195.31 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopentyl-N-prop-2-enoxybutan-1-imine is sourced from PubChem (CID 89059219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).