(Z,2E)-2-(ethoxymethylidene)-3-ethyliminohex-4-enenitrile

C11H16N2O — CID 164585301

IUPAC(Z,2E)-2-(ethoxymethylidene)-3-ethyliminohex-4-enenitrile
SMILESC/C=C\C(=N/CC)\C(C#N)=C/OCC
InChIInChI=1S/C11H16N2O/c1-4-7-11(13-5-2)10(8-12)9-14-6-3/h4,7,9H,5-6H2,1-3H3/b7-4-,10-9-,13-11+
InChIKeyPQXRONGDPQYYBT-JFHOVSOOSA-N
MW192.26 g/mol
LogP2.47
Rot. Bonds5

About (Z,2E)-2-(ethoxymethylidene)-3-ethyliminohex-4-enenitrile

(Z,2E)-2-(ethoxymethylidene)-3-ethyliminohex-4-enenitrile (PubChem CID 164585301) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (Z,2E)-2-(ethoxymethylidene)-3-ethyliminohex-4-enenitrile.

Molecular Properties

Compound Name(Z,2E)-2-(ethoxymethylidene)-3-ethyliminohex-4-enenitrile
PubChem CID164585301
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(Z,2E)-2-(ethoxymethylidene)-3-ethyliminohex-4-enenitrile
SMILESC/C=C\C(=N/CC)\C(C#N)=C/OCC
InChIInChI=1S/C11H16N2O/c1-4-7-11(13-5-2)10(8-12)9-14-6-3/h4,7,9H,5-6H2,1-3H3/b7-4-,10-9-,13-11+
InChIKeyPQXRONGDPQYYBT-JFHOVSOOSA-N
XLogP2.47
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(ethoxymethylidene)-3-hydroxybut-3-enenitrile
CID 87527801
(2E)-2-(ethoxymethylidene)-3-oxopentanenitrile
CID 120999899
(E)-2-cyano-3-ethoxyprop-2-enethioamide
CID 88918935
(E)-2-cyano-3-ethoxyprop-2-enamide
CID 3034578
(2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine
CID 145498144
2-(ethoxymethylidene)butanenitrile
CID 54138132
(2E)-2-(ethoxymethylidene)-3-hydroxybutanedinitrile
CID 19595104
(E)-N,N-dibutyl-2-cyano-3-ethoxyprop-2-enamide
CID 21344755
ethyl 1-cyano-N-ethylmethanimidate
CID 172782517
methyl (Z)-N-ethylbut-2-enimidate
CID 177000194
(Z)-2-cyano-N-[(3E)-3-prop-1-enylhexa-1,3-dien-2-yl]but-2-enimidoyl chloride
CID 123295745
(2-cyano-3-ethoxyprop-2-enyl) acetate
CID 154136736

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-(ethoxymethylidene)-3-ethyliminohex-4-enenitrile?
The IUPAC name of (Z,2E)-2-(ethoxymethylidene)-3-ethyliminohex-4-enenitrile (CID 164585301) is (Z,2E)-2-(ethoxymethylidene)-3-ethyliminohex-4-enenitrile.
What is the SMILES notation for (Z,2E)-2-(ethoxymethylidene)-3-ethyliminohex-4-enenitrile?
The canonical SMILES for (Z,2E)-2-(ethoxymethylidene)-3-ethyliminohex-4-enenitrile is C/C=C\C(=N/CC)\C(C#N)=C/OCC.
What is the InChIKey of (Z,2E)-2-(ethoxymethylidene)-3-ethyliminohex-4-enenitrile?
The InChIKey is PQXRONGDPQYYBT-JFHOVSOOSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-7-11(13-5-2)10(8-12)9-14-6-3/h4,7,9H,5-6H2,1-3H3/b7-4-,10-9-,13-11+.
What are the key properties of (Z,2E)-2-(ethoxymethylidene)-3-ethyliminohex-4-enenitrile?
(Z,2E)-2-(ethoxymethylidene)-3-ethyliminohex-4-enenitrile has a molecular weight of 192.26 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-(ethoxymethylidene)-3-ethyliminohex-4-enenitrile is sourced from PubChem (CID 164585301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).