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

C11H19NO — CID 122659205

IUPAC(E)-1-cyclopentyl-N-prop-2-enoxypropan-1-imine
SMILESC=CCO/N=C(\CC)C1CCCC1
InChIInChI=1S/C11H19NO/c1-3-9-13-12-11(4-2)10-7-5-6-8-10/h3,10H,1,4-9H2,2H3/b12-11+
InChIKeyXATFTIHFNSSMNL-VAWYXSNFSA-N
MW181.28 g/mol
LogP3.15
Rot. Bonds5

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

(E)-1-cyclopentyl-N-prop-2-enoxypropan-1-imine (PubChem CID 122659205) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-1-cyclopentyl-N-prop-2-enoxypropan-1-imine.

Molecular Properties

Compound Name(E)-1-cyclopentyl-N-prop-2-enoxypropan-1-imine
PubChem CID122659205
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(E)-1-cyclopentyl-N-prop-2-enoxypropan-1-imine
SMILESC=CCO/N=C(\CC)C1CCCC1
InChIInChI=1S/C11H19NO/c1-3-9-13-12-11(4-2)10-7-5-6-8-10/h3,10H,1,4-9H2,2H3/b12-11+
InChIKeyXATFTIHFNSSMNL-VAWYXSNFSA-N
XLogP3.15
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.15
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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Related Compounds

4-methyl-N-prop-2-enoxycyclohexan-1-imine
CID 13185044
(E)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
CID 59350988
(Z)-1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
CID 59350993
(Z)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
CID 59351009
(E)-1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
CID 59351026
1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
CID 72268085
1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
CID 72268089
(E)-1-cyclohexyl-N-prop-2-enoxybutan-1-imine
CID 89059176
(E)-1-cyclopentyl-N-prop-2-enoxybutan-1-imine
CID 89059219
(E)-1-cyclohexyl-N-prop-2-enoxypropan-1-imine
CID 122659228
(E)-1-cyclopentyl-3-methyl-N-prop-2-enoxybutan-1-imine
CID 129070261
1-cyclohexyl-N-prop-2-enoxypropan-1-imine
CID 137318706

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopentyl-N-prop-2-enoxypropan-1-imine?
The IUPAC name of (E)-1-cyclopentyl-N-prop-2-enoxypropan-1-imine (CID 122659205) is (E)-1-cyclopentyl-N-prop-2-enoxypropan-1-imine.
What is the SMILES notation for (E)-1-cyclopentyl-N-prop-2-enoxypropan-1-imine?
The canonical SMILES for (E)-1-cyclopentyl-N-prop-2-enoxypropan-1-imine is C=CCO/N=C(\CC)C1CCCC1.
What is the InChIKey of (E)-1-cyclopentyl-N-prop-2-enoxypropan-1-imine?
The InChIKey is XATFTIHFNSSMNL-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-9-13-12-11(4-2)10-7-5-6-8-10/h3,10H,1,4-9H2,2H3/b12-11+.
What are the key properties of (E)-1-cyclopentyl-N-prop-2-enoxypropan-1-imine?
(E)-1-cyclopentyl-N-prop-2-enoxypropan-1-imine has a molecular weight of 181.28 g/mol, XLogP of 3.15, 5 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-enoxypropan-1-imine is sourced from PubChem (CID 122659205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).