methyl 1-cyano-2-ethenylcyclopentane-1-carboxylate

C10H13NO2 — CID 10888505

IUPACmethyl 1-cyano-2-ethenylcyclopentane-1-carboxylate
SMILESC=CC1CCCC1(C#N)C(=O)OC
InChIInChI=1S/C10H13NO2/c1-3-8-5-4-6-10(8,7-11)9(12)13-2/h3,8H,1,4-6H2,2H3
InChIKeySNYBQFVWUIMMPU-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.66
Rot. Bonds2

About methyl 1-cyano-2-ethenylcyclopentane-1-carboxylate

methyl 1-cyano-2-ethenylcyclopentane-1-carboxylate (PubChem CID 10888505) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is methyl 1-cyano-2-ethenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyano-2-ethenylcyclopentane-1-carboxylate
PubChem CID10888505
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namemethyl 1-cyano-2-ethenylcyclopentane-1-carboxylate
SMILESC=CC1CCCC1(C#N)C(=O)OC
InChIInChI=1S/C10H13NO2/c1-3-8-5-4-6-10(8,7-11)9(12)13-2/h3,8H,1,4-6H2,2H3
InChIKeySNYBQFVWUIMMPU-UHFFFAOYSA-N
XLogP1.66
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-allyl-2-cyano-3-methylhexanoate
CID 53428703
Methyl 3-cyanobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 56693603
Ethyl 2-cyano-2-cyclohex-2-en-1-ylpropanoate
CID 278419
methyl (1S,2R,3S,4R)-3-cyanobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 92267703
methyl (1R,2R,3S,4R)-1-cyano-4-ethenyl-3-formyl-2-methylcyclopentane-1-carboxylate
CID 132539795
methyl (1R,2R,3S,4R)-1-cyano-4-ethenyl-3-formyl-2-propylcyclopentane-1-carboxylate
CID 134965689
cis-dimethyl (2S,4R)-2-(2-cyanoethyl)-4-ethenyl-3-methylidenecyclopentane-1,1-dicarboxylate
CID 135043955
Methyl (1)-1-alpha-cyano-alpha-methylcyclohexene-1-acetate
CID 71301209
Methyl 2-cyanobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 12873863
Ethyl 5-cyanobicyclo[2.2.1]hept-2-ene-5-carboxylate
CID 14617842
5-Carbomethoxy-oct-7-enenitrile
CID 14986703
Methyl 2-cyano-5-oxo-1-prop-2-enylcyclopentane-1-carboxylate
CID 20334525

Frequently Asked Questions

What is the IUPAC name of methyl 1-cyano-2-ethenylcyclopentane-1-carboxylate?
The IUPAC name of methyl 1-cyano-2-ethenylcyclopentane-1-carboxylate (CID 10888505) is methyl 1-cyano-2-ethenylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-cyano-2-ethenylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-cyano-2-ethenylcyclopentane-1-carboxylate is C=CC1CCCC1(C#N)C(=O)OC.
What is the InChIKey of methyl 1-cyano-2-ethenylcyclopentane-1-carboxylate?
The InChIKey is SNYBQFVWUIMMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-8-5-4-6-10(8,7-11)9(12)13-2/h3,8H,1,4-6H2,2H3.
What are the key properties of methyl 1-cyano-2-ethenylcyclopentane-1-carboxylate?
methyl 1-cyano-2-ethenylcyclopentane-1-carboxylate has a molecular weight of 179.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyano-2-ethenylcyclopentane-1-carboxylate is sourced from PubChem (CID 10888505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).