(Z)-3-ethyl-N-(2-iminoethenyl)pent-3-en-2-imine

C9H14N2 — CID 135230166

IUPAC(Z)-3-ethyl-N-(2-iminoethenyl)pent-3-en-2-imine
SMILESC/C=C(CC)\C(C)=N\C=C=N
InChIInChI=1S/C9H14N2/c1-4-9(5-2)8(3)11-7-6-10/h4,7,10H,5H2,1-3H3/b9-4-,11-8+
InChIKeyCVJDDBVKOCMYTL-GVXASNAJSA-N
MW150.22 g/mol
LogP2.57
Rot. Bonds3

About (Z)-3-ethyl-N-(2-iminoethenyl)pent-3-en-2-imine

(Z)-3-ethyl-N-(2-iminoethenyl)pent-3-en-2-imine (PubChem CID 135230166) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (Z)-3-ethyl-N-(2-iminoethenyl)pent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-3-ethyl-N-(2-iminoethenyl)pent-3-en-2-imine
PubChem CID135230166
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(Z)-3-ethyl-N-(2-iminoethenyl)pent-3-en-2-imine
SMILESC/C=C(CC)\C(C)=N\C=C=N
InChIInChI=1S/C9H14N2/c1-4-9(5-2)8(3)11-7-6-10/h4,7,10H,5H2,1-3H3/b9-4-,11-8+
InChIKeyCVJDDBVKOCMYTL-GVXASNAJSA-N
XLogP2.57
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethyl-N-(2-iminoethenyl)pent-3-en-2-imine?
The IUPAC name of (Z)-3-ethyl-N-(2-iminoethenyl)pent-3-en-2-imine (CID 135230166) is (Z)-3-ethyl-N-(2-iminoethenyl)pent-3-en-2-imine.
What is the SMILES notation for (Z)-3-ethyl-N-(2-iminoethenyl)pent-3-en-2-imine?
The canonical SMILES for (Z)-3-ethyl-N-(2-iminoethenyl)pent-3-en-2-imine is C/C=C(CC)\C(C)=N\C=C=N.
What is the InChIKey of (Z)-3-ethyl-N-(2-iminoethenyl)pent-3-en-2-imine?
The InChIKey is CVJDDBVKOCMYTL-GVXASNAJSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-9(5-2)8(3)11-7-6-10/h4,7,10H,5H2,1-3H3/b9-4-,11-8+.
What are the key properties of (Z)-3-ethyl-N-(2-iminoethenyl)pent-3-en-2-imine?
(Z)-3-ethyl-N-(2-iminoethenyl)pent-3-en-2-imine has a molecular weight of 150.22 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethyl-N-(2-iminoethenyl)pent-3-en-2-imine is sourced from PubChem (CID 135230166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).