(Z)-3-ethoxy-2-propanoylpent-2-enenitrile

C10H15NO2 — CID 14983647

IUPAC(Z)-3-ethoxy-2-propanoylpent-2-enenitrile
SMILESCCO/C(CC)=C(/C#N)C(=O)CC
InChIInChI=1S/C10H15NO2/c1-4-9(12)8(7-11)10(5-2)13-6-3/h4-6H2,1-3H3/b10-8-
InChIKeyWSLNLAGNDOHEPU-NTMALXAHSA-N
MW181.23 g/mol
LogP2.19
Rot. Bonds5

About (Z)-3-ethoxy-2-propanoylpent-2-enenitrile

(Z)-3-ethoxy-2-propanoylpent-2-enenitrile (PubChem CID 14983647) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (Z)-3-ethoxy-2-propanoylpent-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-ethoxy-2-propanoylpent-2-enenitrile
PubChem CID14983647
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(Z)-3-ethoxy-2-propanoylpent-2-enenitrile
SMILESCCO/C(CC)=C(/C#N)C(=O)CC
InChIInChI=1S/C10H15NO2/c1-4-9(12)8(7-11)10(5-2)13-6-3/h4-6H2,1-3H3/b10-8-
InChIKeyWSLNLAGNDOHEPU-NTMALXAHSA-N
XLogP2.19
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.19
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-cyano-3-ethoxypent-2-enamide
CID 5109111
(2Z)-2-[chloro-(dideuterioamino)methylidene]-3-oxopentanenitrile
CID 134987901
ethyl (E)-2-cyano-3-methylpent-2-enoate
CID 3034577
ethyl (E)-2-cyano-3-ethylhept-2-enoate
CID 5381376
diethyl 2-cyano-3-hydroxybut-2-enedioate
CID 72531814
ethyl (Z)-3-amino-2-cyano-3-ethoxyprop-2-enoate
CID 14173175
ethyl 2-cyano-5,5,5-trideuterio-3-(2,2,2-trideuterioethyl)pent-2-enoate
CID 169440147
ethyl 2-cyano-3,3-dicyclopropylprop-2-enoate
CID 21305
N-(5-chloro-2-pyridinyl)-2-cyano-3-ethoxypent-2-enamide
CID 140862093
(1E)-N-ethoxy-2-oxobutanimidoyl cyanide
CID 89161000
CID 159853173
CID 159853173
ethyl (E)-3-cyanobut-2-enoate
CID 5355913

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethoxy-2-propanoylpent-2-enenitrile?
The IUPAC name of (Z)-3-ethoxy-2-propanoylpent-2-enenitrile (CID 14983647) is (Z)-3-ethoxy-2-propanoylpent-2-enenitrile.
What is the SMILES notation for (Z)-3-ethoxy-2-propanoylpent-2-enenitrile?
The canonical SMILES for (Z)-3-ethoxy-2-propanoylpent-2-enenitrile is CCO/C(CC)=C(/C#N)C(=O)CC.
What is the InChIKey of (Z)-3-ethoxy-2-propanoylpent-2-enenitrile?
The InChIKey is WSLNLAGNDOHEPU-NTMALXAHSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-9(12)8(7-11)10(5-2)13-6-3/h4-6H2,1-3H3/b10-8-.
What are the key properties of (Z)-3-ethoxy-2-propanoylpent-2-enenitrile?
(Z)-3-ethoxy-2-propanoylpent-2-enenitrile has a molecular weight of 181.23 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethoxy-2-propanoylpent-2-enenitrile is sourced from PubChem (CID 14983647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).