ethyl 3,3-dicyano-2-cyclopropylprop-2-enoate

C10H10N2O2 — CID 118561717

IUPACethyl 3,3-dicyano-2-cyclopropylprop-2-enoate
SMILESCCOC(=O)C(=C(C#N)C#N)C1CC1
InChIInChI=1S/C10H10N2O2/c1-2-14-10(13)9(7-3-4-7)8(5-11)6-12/h7H,2-4H2,1H3
InChIKeyJXJPHXFFDNNQRO-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.30
Rot. Bonds3

About ethyl 3,3-dicyano-2-cyclopropylprop-2-enoate

ethyl 3,3-dicyano-2-cyclopropylprop-2-enoate (PubChem CID 118561717) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is ethyl 3,3-dicyano-2-cyclopropylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3,3-dicyano-2-cyclopropylprop-2-enoate
PubChem CID118561717
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Nameethyl 3,3-dicyano-2-cyclopropylprop-2-enoate
SMILESCCOC(=O)C(=C(C#N)C#N)C1CC1
InChIInChI=1S/C10H10N2O2/c1-2-14-10(13)9(7-3-4-7)8(5-11)6-12/h7H,2-4H2,1H3
InChIKeyJXJPHXFFDNNQRO-UHFFFAOYSA-N
XLogP1.30
TPSA73.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

ethyl 2-cyano-3,3-dicyclopropylprop-2-enoate
CID 21305
ethyl 2-cyclopropyl-2-oxoacetate
CID 18370816
ethyl (E)-2-cyano-3-cyclohexylpent-2-enoate
CID 21153318
ethyl 3,3-dicyano-2-hydroxyprop-2-enoate
CID 11859031
ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 126501888
ethyl (E)-2-cyano-3-methylpent-2-enoate
CID 3034577
ethyl 3,3-dicyano-2-(methylamino)prop-2-enoate
CID 12531499
ethyl (E)-2-cyano-4-cyclopentyl-3-methylbut-2-enoate
CID 95004581
ethyl 2-cyano-2-(3-methylcyclobutylidene)acetate
CID 130556761
ethyl (E)-2-cyano-3-ethylhept-2-enoate
CID 5381376
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159

Frequently Asked Questions

What is the IUPAC name of ethyl 3,3-dicyano-2-cyclopropylprop-2-enoate?
The IUPAC name of ethyl 3,3-dicyano-2-cyclopropylprop-2-enoate (CID 118561717) is ethyl 3,3-dicyano-2-cyclopropylprop-2-enoate.
What is the SMILES notation for ethyl 3,3-dicyano-2-cyclopropylprop-2-enoate?
The canonical SMILES for ethyl 3,3-dicyano-2-cyclopropylprop-2-enoate is CCOC(=O)C(=C(C#N)C#N)C1CC1.
What is the InChIKey of ethyl 3,3-dicyano-2-cyclopropylprop-2-enoate?
The InChIKey is JXJPHXFFDNNQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-14-10(13)9(7-3-4-7)8(5-11)6-12/h7H,2-4H2,1H3.
What are the key properties of ethyl 3,3-dicyano-2-cyclopropylprop-2-enoate?
ethyl 3,3-dicyano-2-cyclopropylprop-2-enoate has a molecular weight of 190.20 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-dicyano-2-cyclopropylprop-2-enoate is sourced from PubChem (CID 118561717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).