methyl (E)-3-[(2R)-2-ethenylcyclopropyl]prop-2-enoate

C9H12O2 — CID 135013151

IUPACmethyl (E)-3-[(2R)-2-ethenylcyclopropyl]prop-2-enoate
SMILESC=C[C@H]1CC1/C=C/C(=O)OC
InChIInChI=1S/C9H12O2/c1-3-7-6-8(7)4-5-9(10)11-2/h3-5,7-8H,1,6H2,2H3/b5-4+/t7-,8?/m0/s1
InChIKeyCITYGYUXZWAZMG-WKKGSWGPSA-N
MW152.19 g/mol
LogP1.54
Rot. Bonds3

About methyl (E)-3-[(2R)-2-ethenylcyclopropyl]prop-2-enoate

methyl (E)-3-[(2R)-2-ethenylcyclopropyl]prop-2-enoate (PubChem CID 135013151) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is methyl (E)-3-[(2R)-2-ethenylcyclopropyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[(2R)-2-ethenylcyclopropyl]prop-2-enoate
PubChem CID135013151
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Namemethyl (E)-3-[(2R)-2-ethenylcyclopropyl]prop-2-enoate
SMILESC=C[C@H]1CC1/C=C/C(=O)OC
InChIInChI=1S/C9H12O2/c1-3-7-6-8(7)4-5-9(10)11-2/h3-5,7-8H,1,6H2,2H3/b5-4+/t7-,8?/m0/s1
InChIKeyCITYGYUXZWAZMG-WKKGSWGPSA-N
XLogP1.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (E)-3-[(2R)-2-ethenylcyclopropyl]prop-2-enoate 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 oct-2-enoate
CID 5364532
2-Octenoic acid, methyl ester
CID 61313
2-Octenoic acid, methyl ester, (2Z)-
CID 11040937
Methyl 4-methyl-2-pentenoate
CID 5362843
Methyl 5-methyl-2-hexenoate
CID 5702852
Methyl 3-methyl-2-hexenoate
CID 574152
Methyl 2-heptenoate
CID 5368087
Ethyl (2E)-4-methyl-2-pentenoate
CID 5315066
ethyl (2E)-3-cyclopropylprop-2-enoate
CID 11040780
Methyl 3-cyclopropylacrylate
CID 14585551
Methyl (2E,6Z)-dodeca-2,6-dienoate
CID 6438202
2,6-Nonadienoic acid methyl ester
CID 85560924

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[(2R)-2-ethenylcyclopropyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[(2R)-2-ethenylcyclopropyl]prop-2-enoate (CID 135013151) is methyl (E)-3-[(2R)-2-ethenylcyclopropyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[(2R)-2-ethenylcyclopropyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[(2R)-2-ethenylcyclopropyl]prop-2-enoate is C=C[C@H]1CC1/C=C/C(=O)OC.
What is the InChIKey of methyl (E)-3-[(2R)-2-ethenylcyclopropyl]prop-2-enoate?
The InChIKey is CITYGYUXZWAZMG-WKKGSWGPSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-7-6-8(7)4-5-9(10)11-2/h3-5,7-8H,1,6H2,2H3/b5-4+/t7-,8?/m0/s1.
What are the key properties of methyl (E)-3-[(2R)-2-ethenylcyclopropyl]prop-2-enoate?
methyl (E)-3-[(2R)-2-ethenylcyclopropyl]prop-2-enoate has a molecular weight of 152.19 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[(2R)-2-ethenylcyclopropyl]prop-2-enoate is sourced from PubChem (CID 135013151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).