(Z)-N-(1-cyclopropyloxyethenyl)-2-methylprop-2-en-1-imine;ethane

C11H19NO — CID 177243554

IUPAC(Z)-N-(1-cyclopropyloxyethenyl)-2-methylprop-2-en-1-imine;ethane
SMILESC=C(C)/C=N\C(=C)OC1CC1.CC
InChIInChI=1S/C9H13NO.C2H6/c1-7(2)6-10-8(3)11-9-4-5-9;1-2/h6,9H,1,3-5H2,2H3;1-2H3/b10-6-;
InChIKeyDTXZEULHPRJKEN-OTUCAILMSA-N
MW181.28 g/mol
LogP3.31
Rot. Bonds4

About (Z)-N-(1-cyclopropyloxyethenyl)-2-methylprop-2-en-1-imine;ethane

(Z)-N-(1-cyclopropyloxyethenyl)-2-methylprop-2-en-1-imine;ethane (PubChem CID 177243554) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (Z)-N-(1-cyclopropyloxyethenyl)-2-methylprop-2-en-1-imine;ethane.

Molecular Properties

Compound Name(Z)-N-(1-cyclopropyloxyethenyl)-2-methylprop-2-en-1-imine;ethane
PubChem CID177243554
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(Z)-N-(1-cyclopropyloxyethenyl)-2-methylprop-2-en-1-imine;ethane
SMILESC=C(C)/C=N\C(=C)OC1CC1.CC
InChIInChI=1S/C9H13NO.C2H6/c1-7(2)6-10-8(3)11-9-4-5-9;1-2/h6,9H,1,3-5H2,2H3;1-2H3/b10-6-;
InChIKeyDTXZEULHPRJKEN-OTUCAILMSA-N
XLogP3.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-cyclopropyloxyethenyl)-2-methylprop-2-en-1-imine;ethane?
The IUPAC name of (Z)-N-(1-cyclopropyloxyethenyl)-2-methylprop-2-en-1-imine;ethane (CID 177243554) is (Z)-N-(1-cyclopropyloxyethenyl)-2-methylprop-2-en-1-imine;ethane.
What is the SMILES notation for (Z)-N-(1-cyclopropyloxyethenyl)-2-methylprop-2-en-1-imine;ethane?
The canonical SMILES for (Z)-N-(1-cyclopropyloxyethenyl)-2-methylprop-2-en-1-imine;ethane is C=C(C)/C=N\C(=C)OC1CC1.CC.
What is the InChIKey of (Z)-N-(1-cyclopropyloxyethenyl)-2-methylprop-2-en-1-imine;ethane?
The InChIKey is DTXZEULHPRJKEN-OTUCAILMSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-7(2)6-10-8(3)11-9-4-5-9;1-2/h6,9H,1,3-5H2,2H3;1-2H3/b10-6-;.
What are the key properties of (Z)-N-(1-cyclopropyloxyethenyl)-2-methylprop-2-en-1-imine;ethane?
(Z)-N-(1-cyclopropyloxyethenyl)-2-methylprop-2-en-1-imine;ethane has a molecular weight of 181.28 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-cyclopropyloxyethenyl)-2-methylprop-2-en-1-imine;ethane is sourced from PubChem (CID 177243554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).