methyl (E)-3-[(1R,2S)-2-phenylcyclopropyl]prop-2-enoate

C13H14O2 — CID 11310192

IUPACmethyl (E)-3-[(1R,2S)-2-phenylcyclopropyl]prop-2-enoate
SMILESCOC(=O)/C=C/[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C13H14O2/c1-15-13(14)8-7-11-9-12(11)10-5-3-2-4-6-10/h2-8,11-12H,9H2,1H3/b8-7+/t11-,12+/m0/s1
InChIKeyKQOBUEYWNULBLJ-ADYIUWEDSA-N
MW202.25 g/mol
LogP2.52
Rot. Bonds3

About methyl (E)-3-[(1R,2S)-2-phenylcyclopropyl]prop-2-enoate

methyl (E)-3-[(1R,2S)-2-phenylcyclopropyl]prop-2-enoate (PubChem CID 11310192) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl (E)-3-[(1R,2S)-2-phenylcyclopropyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[(1R,2S)-2-phenylcyclopropyl]prop-2-enoate
PubChem CID11310192
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Namemethyl (E)-3-[(1R,2S)-2-phenylcyclopropyl]prop-2-enoate
SMILESCOC(=O)/C=C/[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C13H14O2/c1-15-13(14)8-7-11-9-12(11)10-5-3-2-4-6-10/h2-8,11-12H,9H2,1H3/b8-7+/t11-,12+/m0/s1
InChIKeyKQOBUEYWNULBLJ-ADYIUWEDSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]prop-2-enoate
CID 71746220
methyl (E)-3-[(2S,3S)-3-phenyloxiran-2-yl]prop-2-enoate
CID 11041861
methyl (E)-3-[(1R)-2,2-difluoro-3-phenylcyclopropyl]prop-2-enoate
CID 134970714
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
CID 99991979
methyl (E)-3-[(2S,3R,6S)-1-but-3-enyl-3-methyl-4-oxo-6-phenylpiperidin-2-yl]prop-2-enoate
CID 101181673
methyl (E)-3-[(3S,4R)-3,4-dihydroxycyclopentyl]prop-2-enoate
CID 52916605
N-methoxy-2-phenylcyclopropane-1-carboxamide
CID 72524749
methyl (E)-3-(2,3-dihydro-1H-inden-2-ylamino)prop-2-enoate
CID 107853787
methyl 3-[2-(phenylmethoxycarbonylamino)oxetan-3-yl]prop-2-enoate
CID 175544203
1-O-tert-butyl 2-O-methyl (2S,3R,5R)-5-ethenyl-3-phenylpyrrolidine-1,2-dicarboxylate
CID 10664250
methyl 4-[(1S,2S)-2-[(E)-2-acetyloxyethenyl]cyclopropyl]benzoate
CID 57408431

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[(1R,2S)-2-phenylcyclopropyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[(1R,2S)-2-phenylcyclopropyl]prop-2-enoate (CID 11310192) is methyl (E)-3-[(1R,2S)-2-phenylcyclopropyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[(1R,2S)-2-phenylcyclopropyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[(1R,2S)-2-phenylcyclopropyl]prop-2-enoate is COC(=O)/C=C/[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of methyl (E)-3-[(1R,2S)-2-phenylcyclopropyl]prop-2-enoate?
The InChIKey is KQOBUEYWNULBLJ-ADYIUWEDSA-N. The full InChI is InChI=1S/C13H14O2/c1-15-13(14)8-7-11-9-12(11)10-5-3-2-4-6-10/h2-8,11-12H,9H2,1H3/b8-7+/t11-,12+/m0/s1.
What are the key properties of methyl (E)-3-[(1R,2S)-2-phenylcyclopropyl]prop-2-enoate?
methyl (E)-3-[(1R,2S)-2-phenylcyclopropyl]prop-2-enoate has a molecular weight of 202.25 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[(1R,2S)-2-phenylcyclopropyl]prop-2-enoate is sourced from PubChem (CID 11310192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).