ethyl 1-ethenyl-2-methyl-3-phenylcyclopropane-1-carboxylate

C15H18O2 — CID 170387940

IUPACethyl 1-ethenyl-2-methyl-3-phenylcyclopropane-1-carboxylate
SMILESC=CC1(C(=O)OCC)C(C)C1c1ccccc1
InChIInChI=1S/C15H18O2/c1-4-15(14(16)17-5-2)11(3)13(15)12-9-7-6-8-10-12/h4,6-11,13H,1,5H2,2-3H3
InChIKeyDYOXBXMXCMQJBC-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.16
Rot. Bonds4

About ethyl 1-ethenyl-2-methyl-3-phenylcyclopropane-1-carboxylate

ethyl 1-ethenyl-2-methyl-3-phenylcyclopropane-1-carboxylate (PubChem CID 170387940) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 1-ethenyl-2-methyl-3-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethenyl-2-methyl-3-phenylcyclopropane-1-carboxylate
PubChem CID170387940
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Nameethyl 1-ethenyl-2-methyl-3-phenylcyclopropane-1-carboxylate
SMILESC=CC1(C(=O)OCC)C(C)C1c1ccccc1
InChIInChI=1S/C15H18O2/c1-4-15(14(16)17-5-2)11(3)13(15)12-9-7-6-8-10-12/h4,6-11,13H,1,5H2,2-3H3
InChIKeyDYOXBXMXCMQJBC-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.16
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

trans-diethyl (2S,3S)-2-methyl-3-phenylcyclopropane-1,1-dicarboxylate
CID 23266686
ethyl 1-[5-[(2S)-1-ethoxycarbonyl-2-methyl-3-phenylcyclopropyl]-2,6-dimethoxy-3-pyridinyl]-2-methyl-3-phenylcyclopropane-1-carboxylate
CID 170387676
ethyl 3-ethenyl-5-oxo-2-phenyloxolane-3-carboxylate
CID 177477129
diethyl 3-formyl-2-phenylcyclopentane-1,1-dicarboxylate
CID 72672577
trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
CID 102520538
trans-diethyl (2S,3S)-1-methylsulfanyl-3-phenylcyclopropane-1,2-dicarboxylate
CID 23262710
triethyl 2-chloro-3-phenylcyclopropane-1,1,2-tricarboxylate
CID 12009005
cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate
CID 25137557
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
diethyl (3S,5R)-3,5-diphenylpyrrolidine-2,2-dicarboxylate
CID 70676422
ethyl 1-amino-2-phenylcyclobutane-1-carboxylate
CID 135039689
diethyl 1-acetyl-2-hydroxy-5-methyl-3-phenylpyrrolidine-2,4-dicarboxylate
CID 132510841

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethenyl-2-methyl-3-phenylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-ethenyl-2-methyl-3-phenylcyclopropane-1-carboxylate (CID 170387940) is ethyl 1-ethenyl-2-methyl-3-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-ethenyl-2-methyl-3-phenylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-ethenyl-2-methyl-3-phenylcyclopropane-1-carboxylate is C=CC1(C(=O)OCC)C(C)C1c1ccccc1.
What is the InChIKey of ethyl 1-ethenyl-2-methyl-3-phenylcyclopropane-1-carboxylate?
The InChIKey is DYOXBXMXCMQJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-4-15(14(16)17-5-2)11(3)13(15)12-9-7-6-8-10-12/h4,6-11,13H,1,5H2,2-3H3.
What are the key properties of ethyl 1-ethenyl-2-methyl-3-phenylcyclopropane-1-carboxylate?
ethyl 1-ethenyl-2-methyl-3-phenylcyclopropane-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethenyl-2-methyl-3-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 170387940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).