2-ethylbutyl 2-cyanoprop-2-enoate

C10H15NO2 — CID 5134223

IUPAC2-ethylbutyl 2-cyanoprop-2-enoate
SMILESC=C(C#N)C(=O)OCC(CC)CC
InChIInChI=1S/C10H15NO2/c1-4-9(5-2)7-13-10(12)8(3)6-11/h9H,3-5,7H2,1-2H3
InChIKeyIQAOUEZDBBBGKY-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.05
Rot. Bonds5

About 2-ethylbutyl 2-cyanoprop-2-enoate

2-ethylbutyl 2-cyanoprop-2-enoate (PubChem CID 5134223) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-ethylbutyl 2-cyanoprop-2-enoate.

Molecular Properties

Compound Name2-ethylbutyl 2-cyanoprop-2-enoate
PubChem CID5134223
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-ethylbutyl 2-cyanoprop-2-enoate
SMILESC=C(C#N)C(=O)OCC(CC)CC
InChIInChI=1S/C10H15NO2/c1-4-9(5-2)7-13-10(12)8(3)6-11/h9H,3-5,7H2,1-2H3
InChIKeyIQAOUEZDBBBGKY-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl 2-cyanoprop-2-enoate;prop-2-enyl 2-cyanoprop-2-enoate
CID 161002786
2-ethylhexyl 2-cyanoprop-2-enoate;4-methyl-5-methylidene-2,6-dioxopyridine-3-carbonitrile
CID 160765029
2-phenylpropyl 2-cyanoprop-2-enoate
CID 139645044
propanoic acid;propyl 2-cyanoprop-2-enoate
CID 174742074
4-(2-ethoxybutoxy)butyl 2-cyanoprop-2-enoate
CID 54200987
2-cyanoprop-2-enyl 2-cyanoprop-2-enoate
CID 89042085
2-ethoxyethanol;ethyl 2-cyanoprop-2-enoate
CID 88737395
3-propoxypropyl 2-cyanoprop-2-enoate
CID 57423290
2-trimethylsilylethyl 2-cyanoprop-2-enoate
CID 54203194
3-(2-cyanoprop-2-enoyloxy)-2-ethylbutanoic acid
CID 160925195
1-propoxypropyl 2-cyanoprop-2-enoate
CID 87744314
1-(2-methoxybutoxy)ethyl 2-cyanoprop-2-enoate
CID 87744188

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutyl 2-cyanoprop-2-enoate?
The IUPAC name of 2-ethylbutyl 2-cyanoprop-2-enoate (CID 5134223) is 2-ethylbutyl 2-cyanoprop-2-enoate.
What is the SMILES notation for 2-ethylbutyl 2-cyanoprop-2-enoate?
The canonical SMILES for 2-ethylbutyl 2-cyanoprop-2-enoate is C=C(C#N)C(=O)OCC(CC)CC.
What is the InChIKey of 2-ethylbutyl 2-cyanoprop-2-enoate?
The InChIKey is IQAOUEZDBBBGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-9(5-2)7-13-10(12)8(3)6-11/h9H,3-5,7H2,1-2H3.
What are the key properties of 2-ethylbutyl 2-cyanoprop-2-enoate?
2-ethylbutyl 2-cyanoprop-2-enoate has a molecular weight of 181.23 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutyl 2-cyanoprop-2-enoate is sourced from PubChem (CID 5134223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).