2-cyanoprop-2-enyl 2-methylprop-2-enoate

C8H9NO2 — CID 141043475

IUPAC2-cyanoprop-2-enyl 2-methylprop-2-enoate
SMILESC=C(C#N)COC(=O)C(=C)C
InChIInChI=1S/C8H9NO2/c1-6(2)8(10)11-5-7(3)4-9/h1,3,5H2,2H3
InChIKeyRYTMANAUUHPNOL-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.19
Rot. Bonds3

About 2-cyanoprop-2-enyl 2-methylprop-2-enoate

2-cyanoprop-2-enyl 2-methylprop-2-enoate (PubChem CID 141043475) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-cyanoprop-2-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-cyanoprop-2-enyl 2-methylprop-2-enoate
PubChem CID141043475
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-cyanoprop-2-enyl 2-methylprop-2-enoate
SMILESC=C(C#N)COC(=O)C(=C)C
InChIInChI=1S/C8H9NO2/c1-6(2)8(10)11-5-7(3)4-9/h1,3,5H2,2H3
InChIKeyRYTMANAUUHPNOL-UHFFFAOYSA-N
XLogP1.19
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.19
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-cyanoprop-2-enyl 2-methylidenebutanoate
CID 118216233
2-cyanoprop-2-enyl 2-cyanoprop-2-enoate
CID 89042085
cyanic acid;ethyl 2-methylprop-2-enoate
CID 172737974
2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;2-methylprop-2-enenitrile
CID 87662194
[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 87168536
2-hydroxybuta-2,3-dienyl 2-methylprop-2-enoate
CID 176518071
2-methylprop-2-enenitrile;oxiran-2-ylmethyl 2-methylprop-2-enoate;hydrate
CID 174885519
(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate
CID 22289237
[2-[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 58663419
ethene;[2-[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 173091400
bis(2-cyanoprop-2-enyl) benzene-1,4-dicarboxylate
CID 21349210
2-(methoxymethyl)prop-2-enenitrile
CID 13279677

Frequently Asked Questions

What is the IUPAC name of 2-cyanoprop-2-enyl 2-methylprop-2-enoate?
The IUPAC name of 2-cyanoprop-2-enyl 2-methylprop-2-enoate (CID 141043475) is 2-cyanoprop-2-enyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-cyanoprop-2-enyl 2-methylprop-2-enoate?
The canonical SMILES for 2-cyanoprop-2-enyl 2-methylprop-2-enoate is C=C(C#N)COC(=O)C(=C)C.
What is the InChIKey of 2-cyanoprop-2-enyl 2-methylprop-2-enoate?
The InChIKey is RYTMANAUUHPNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6(2)8(10)11-5-7(3)4-9/h1,3,5H2,2H3.
What are the key properties of 2-cyanoprop-2-enyl 2-methylprop-2-enoate?
2-cyanoprop-2-enyl 2-methylprop-2-enoate has a molecular weight of 151.16 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoprop-2-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 141043475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).