methyl 2-cyano-5-(cyanomethyl)cyclopentene-1-carboxylate

C10H10N2O2 — CID 71502242

IUPACmethyl 2-cyano-5-(cyanomethyl)cyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(C#N)CCC1CC#N
InChIInChI=1S/C10H10N2O2/c1-14-10(13)9-7(4-5-11)2-3-8(9)6-12/h7H,2-4H2,1H3
InChIKeyJDNVBHIUSKDJIP-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.30
Rot. Bonds2

About methyl 2-cyano-5-(cyanomethyl)cyclopentene-1-carboxylate

methyl 2-cyano-5-(cyanomethyl)cyclopentene-1-carboxylate (PubChem CID 71502242) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 2-cyano-5-(cyanomethyl)cyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyano-5-(cyanomethyl)cyclopentene-1-carboxylate
PubChem CID71502242
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl 2-cyano-5-(cyanomethyl)cyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(C#N)CCC1CC#N
InChIInChI=1S/C10H10N2O2/c1-14-10(13)9-7(4-5-11)2-3-8(9)6-12/h7H,2-4H2,1H3
InChIKeyJDNVBHIUSKDJIP-UHFFFAOYSA-N
XLogP1.30
TPSA73.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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

Analyze methyl 2-cyano-5-(cyanomethyl)cyclopentene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-cyano-2,5-dihydrofuran-3-carboxylate
CID 45090151
dimethyl (1S,4R)-5,6-dicyano-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CID 134885145
methyl (4S)-4-(4-cyanophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 35692519
methyl 2-cyano-4-fluorocyclohexa-1,5-diene-1-carboxylate
CID 170707878
dimethyl (1S,4S)-bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 124541983
methyl 2-[3-(cyanomethyl)cyclobutylidene]acetate
CID 155321153
methyl 3-cyano-2-cyclopropyl-4-methylbenzoate
CID 175864169
dimethyl 7-(2-cyanoethyl)-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CID 101272053
2-O-(2-cyanoethyl) 1-O-methyl benzene-1,2-dicarboxylate
CID 159490005
methyl (5R)-2-methyl-5-(2-oxohexyl)cyclopentene-1-carboxylate
CID 102064969
methyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate
CID 124673429
N-(cyanomethyl)-4-oxocyclohexane-1-carboxamide
CID 130606500

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyano-5-(cyanomethyl)cyclopentene-1-carboxylate?
The IUPAC name of methyl 2-cyano-5-(cyanomethyl)cyclopentene-1-carboxylate (CID 71502242) is methyl 2-cyano-5-(cyanomethyl)cyclopentene-1-carboxylate.
What is the SMILES notation for methyl 2-cyano-5-(cyanomethyl)cyclopentene-1-carboxylate?
The canonical SMILES for methyl 2-cyano-5-(cyanomethyl)cyclopentene-1-carboxylate is COC(=O)C1=C(C#N)CCC1CC#N.
What is the InChIKey of methyl 2-cyano-5-(cyanomethyl)cyclopentene-1-carboxylate?
The InChIKey is JDNVBHIUSKDJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-14-10(13)9-7(4-5-11)2-3-8(9)6-12/h7H,2-4H2,1H3.
What are the key properties of methyl 2-cyano-5-(cyanomethyl)cyclopentene-1-carboxylate?
methyl 2-cyano-5-(cyanomethyl)cyclopentene-1-carboxylate has a molecular weight of 190.20 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyano-5-(cyanomethyl)cyclopentene-1-carboxylate is sourced from PubChem (CID 71502242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).