(E)-2-cyano-3-ethoxyprop-2-enamide

C6H8N2O2 — CID 3034578

IUPAC(E)-2-cyano-3-ethoxyprop-2-enamide
SMILESCCO/C=C(\C#N)C(N)=O
InChIInChI=1S/C6H8N2O2/c1-2-10-4-5(3-7)6(8)9/h4H,2H2,1H3,(H2,8,9)/b5-4+
InChIKeyZLVJIUUJDJDJQG-SNAWJCMRSA-N
MW140.14 g/mol
LogP-0.08
Rot. Bonds3

About (E)-2-cyano-3-ethoxyprop-2-enamide

(E)-2-cyano-3-ethoxyprop-2-enamide (PubChem CID 3034578) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is (E)-2-cyano-3-ethoxyprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-ethoxyprop-2-enamide
PubChem CID3034578
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name(E)-2-cyano-3-ethoxyprop-2-enamide
SMILESCCO/C=C(\C#N)C(N)=O
InChIInChI=1S/C6H8N2O2/c1-2-10-4-5(3-7)6(8)9/h4H,2H2,1H3,(H2,8,9)/b5-4+
InChIKeyZLVJIUUJDJDJQG-SNAWJCMRSA-N
XLogP-0.08
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyano-3-propoxyprop-2-enamide
CID 162352552
(E)-2-cyano-3-ethoxyprop-2-enethioamide
CID 88918935
(2E)-2-(ethoxymethylidene)-3-oxopentanenitrile
CID 120999899
(2Z)-2-(ethoxymethylidene)-3-hydroxybut-3-enenitrile
CID 87527801
(E)-2-cyanobut-2-enamide
CID 88621085
(E)-N,N-dibutyl-2-cyano-3-ethoxyprop-2-enamide
CID 21344755
(2-cyano-3-ethoxyprop-2-enyl) acetate
CID 154136736
2-cyano-3-hydroxyprop-2-enamide
CID 3286231
(Z)-2-cyano-3-hydroxyprop-2-enamide
CID 45050446
butyl 3-butoxy-2-cyanoprop-2-enoate
CID 86112544
2-(ethoxymethylidene)butanenitrile
CID 54138132
(Z,2E)-2-(ethoxymethylidene)-3-ethyliminohex-4-enenitrile
CID 164585301

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-ethoxyprop-2-enamide?
The IUPAC name of (E)-2-cyano-3-ethoxyprop-2-enamide (CID 3034578) is (E)-2-cyano-3-ethoxyprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-ethoxyprop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-ethoxyprop-2-enamide is CCO/C=C(\C#N)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-ethoxyprop-2-enamide?
The InChIKey is ZLVJIUUJDJDJQG-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-2-10-4-5(3-7)6(8)9/h4H,2H2,1H3,(H2,8,9)/b5-4+.
What are the key properties of (E)-2-cyano-3-ethoxyprop-2-enamide?
(E)-2-cyano-3-ethoxyprop-2-enamide has a molecular weight of 140.14 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-ethoxyprop-2-enamide is sourced from PubChem (CID 3034578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).