methyl (1S,2S,3S)-2-(cyclopenten-1-yl)-3-ethenylcyclopropane-1-carboxylate

C12H16O2 — CID 102145096

IUPACmethyl (1S,2S,3S)-2-(cyclopenten-1-yl)-3-ethenylcyclopropane-1-carboxylate
SMILESC=C[C@@H]1[C@H](C(=O)OC)[C@H]1C1=CCCC1
InChIInChI=1S/C12H16O2/c1-3-9-10(8-6-4-5-7-8)11(9)12(13)14-2/h3,6,9-11H,1,4-5,7H2,2H3/t9-,10-,11-/m0/s1
InChIKeyGCVCUBDQKQEDJH-DCAQKATOSA-N
MW192.26 g/mol
LogP2.32
Rot. Bonds3

About methyl (1S,2S,3S)-2-(cyclopenten-1-yl)-3-ethenylcyclopropane-1-carboxylate

methyl (1S,2S,3S)-2-(cyclopenten-1-yl)-3-ethenylcyclopropane-1-carboxylate (PubChem CID 102145096) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is methyl (1S,2S,3S)-2-(cyclopenten-1-yl)-3-ethenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2S,3S)-2-(cyclopenten-1-yl)-3-ethenylcyclopropane-1-carboxylate
PubChem CID102145096
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Namemethyl (1S,2S,3S)-2-(cyclopenten-1-yl)-3-ethenylcyclopropane-1-carboxylate
SMILESC=C[C@@H]1[C@H](C(=O)OC)[C@H]1C1=CCCC1
InChIInChI=1S/C12H16O2/c1-3-9-10(8-6-4-5-7-8)11(9)12(13)14-2/h3,6,9-11H,1,4-5,7H2,2H3/t9-,10-,11-/m0/s1
InChIKeyGCVCUBDQKQEDJH-DCAQKATOSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl (1S,2S,3S)-2-(cyclopenten-1-yl)-3-ethenylcyclopropane-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 (1S,2R,3S)-2-ethenyl-3-prop-1-en-2-ylcyclopropane-1-carboxylate
CID 102399635
cis-methyl (1R,2S)-2-ethenyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 134855021
methyl bicyclo[4.1.0]heptane-7-carboxylate
CID 534051
methyl (1S,2S,3R)-2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 10637132
methyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 130028820
dimethyl (1S,2S,3S,4S,5S,6S)-1,2-di(cyclohexen-1-yl)tricyclo[3.1.0.02,4]hexane-3,6-dicarboxylate
CID 10383650
dimethyl (1R,4R)-2,3-di(cyclohexen-1-yl)cyclohexa-2,5-diene-1,4-dicarboxylate
CID 10021186
dimethyl 5-ethenylbicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 67802456
dimethyl (1R,8S)-tetracyclo[6.6.2.02,7.09,14]hexadec-2(7)-ene-15,16-dicarboxylate
CID 24870511
methyl 2-(cyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate
CID 101064041
methyl (1R,5R,6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 130877712
methyl 2-methylidenecyclopentane-1-carboxylate
CID 557112

Frequently Asked Questions

What is the IUPAC name of methyl (1S,2S,3S)-2-(cyclopenten-1-yl)-3-ethenylcyclopropane-1-carboxylate?
The IUPAC name of methyl (1S,2S,3S)-2-(cyclopenten-1-yl)-3-ethenylcyclopropane-1-carboxylate (CID 102145096) is methyl (1S,2S,3S)-2-(cyclopenten-1-yl)-3-ethenylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl (1S,2S,3S)-2-(cyclopenten-1-yl)-3-ethenylcyclopropane-1-carboxylate?
The canonical SMILES for methyl (1S,2S,3S)-2-(cyclopenten-1-yl)-3-ethenylcyclopropane-1-carboxylate is C=C[C@@H]1[C@H](C(=O)OC)[C@H]1C1=CCCC1.
What is the InChIKey of methyl (1S,2S,3S)-2-(cyclopenten-1-yl)-3-ethenylcyclopropane-1-carboxylate?
The InChIKey is GCVCUBDQKQEDJH-DCAQKATOSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-9-10(8-6-4-5-7-8)11(9)12(13)14-2/h3,6,9-11H,1,4-5,7H2,2H3/t9-,10-,11-/m0/s1.
What are the key properties of methyl (1S,2S,3S)-2-(cyclopenten-1-yl)-3-ethenylcyclopropane-1-carboxylate?
methyl (1S,2S,3S)-2-(cyclopenten-1-yl)-3-ethenylcyclopropane-1-carboxylate has a molecular weight of 192.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2S,3S)-2-(cyclopenten-1-yl)-3-ethenylcyclopropane-1-carboxylate is sourced from PubChem (CID 102145096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).