methyl (1S,2R,3S)-2-ethenyl-3-prop-1-en-2-ylcyclopropane-1-carboxylate

C10H14O2 — CID 102399635

IUPACmethyl (1S,2R,3S)-2-ethenyl-3-prop-1-en-2-ylcyclopropane-1-carboxylate
SMILESC=C[C@@H]1[C@H](C(=C)C)[C@H]1C(=O)OC
InChIInChI=1S/C10H14O2/c1-5-7-8(6(2)3)9(7)10(11)12-4/h5,7-9H,1-2H2,3-4H3/t7-,8+,9+/m1/s1
InChIKeyJWVCMQIVVQSWAC-VGMNWLOBSA-N
MW166.22 g/mol
LogP1.78
Rot. Bonds3

About methyl (1S,2R,3S)-2-ethenyl-3-prop-1-en-2-ylcyclopropane-1-carboxylate

methyl (1S,2R,3S)-2-ethenyl-3-prop-1-en-2-ylcyclopropane-1-carboxylate (PubChem CID 102399635) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is methyl (1S,2R,3S)-2-ethenyl-3-prop-1-en-2-ylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2R,3S)-2-ethenyl-3-prop-1-en-2-ylcyclopropane-1-carboxylate
PubChem CID102399635
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Namemethyl (1S,2R,3S)-2-ethenyl-3-prop-1-en-2-ylcyclopropane-1-carboxylate
SMILESC=C[C@@H]1[C@H](C(=C)C)[C@H]1C(=O)OC
InChIInChI=1S/C10H14O2/c1-5-7-8(6(2)3)9(7)10(11)12-4/h5,7-9H,1-2H2,3-4H3/t7-,8+,9+/m1/s1
InChIKeyJWVCMQIVVQSWAC-VGMNWLOBSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-methyl (1R,2S)-2-ethenyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 134855021
dimethyl 3-(2-methylprop-1-enyl)cyclopropane-1,2-dicarboxylate
CID 564431
methyl (1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 46899996
methyl (1S,2S,3S)-2-(cyclopenten-1-yl)-3-ethenylcyclopropane-1-carboxylate
CID 102145096
dimethyl 5-ethenylbicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 67802456
methyl (1R)-2-ethenylcyclopropane-1-carboxylate
CID 175542907
dimethyl (1S,2S,3R,4S)-bicyclo[2.2.0]hexane-2,3-dicarboxylate
CID 94034772
carbonic acid;methyl 2-ethenylcyclopropane-1-carboxylate
CID 66957945
methyl 3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 123144510
dimethyl (1R,2S,4R,5R,6R,7S)-3,8-dioxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate
CID 90679334
dimethyl (1S,2R,3R,4R)-3,4-bis(chloromethyl)cyclobutane-1,2-dicarboxylate
CID 11265664
2-O-[(1S,2R,3S)-2-[(1R)-1-hydroxybut-3-enyl]-3-methoxycarbonylcyclopropyl] 1-O-methyl oxalate
CID 15459187

Frequently Asked Questions

What is the IUPAC name of methyl (1S,2R,3S)-2-ethenyl-3-prop-1-en-2-ylcyclopropane-1-carboxylate?
The IUPAC name of methyl (1S,2R,3S)-2-ethenyl-3-prop-1-en-2-ylcyclopropane-1-carboxylate (CID 102399635) is methyl (1S,2R,3S)-2-ethenyl-3-prop-1-en-2-ylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl (1S,2R,3S)-2-ethenyl-3-prop-1-en-2-ylcyclopropane-1-carboxylate?
The canonical SMILES for methyl (1S,2R,3S)-2-ethenyl-3-prop-1-en-2-ylcyclopropane-1-carboxylate is C=C[C@@H]1[C@H](C(=C)C)[C@H]1C(=O)OC.
What is the InChIKey of methyl (1S,2R,3S)-2-ethenyl-3-prop-1-en-2-ylcyclopropane-1-carboxylate?
The InChIKey is JWVCMQIVVQSWAC-VGMNWLOBSA-N. The full InChI is InChI=1S/C10H14O2/c1-5-7-8(6(2)3)9(7)10(11)12-4/h5,7-9H,1-2H2,3-4H3/t7-,8+,9+/m1/s1.
What are the key properties of methyl (1S,2R,3S)-2-ethenyl-3-prop-1-en-2-ylcyclopropane-1-carboxylate?
methyl (1S,2R,3S)-2-ethenyl-3-prop-1-en-2-ylcyclopropane-1-carboxylate has a molecular weight of 166.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2R,3S)-2-ethenyl-3-prop-1-en-2-ylcyclopropane-1-carboxylate is sourced from PubChem (CID 102399635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).