ethyl 1-[(E)-3-phenylprop-2-enyl]cyclopropane-1-carboxylate

C15H18O2 — CID 134865085

IUPACethyl 1-[(E)-3-phenylprop-2-enyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C15H18O2/c1-2-17-14(16)15(11-12-15)10-6-9-13-7-4-3-5-8-13/h3-9H,2,10-12H2,1H3/b9-6+
InChIKeyJKCJJPDIXRXVMQ-RMKNXTFCSA-N
MW230.31 g/mol
LogP3.43
Rot. Bonds5

About ethyl 1-[(E)-3-phenylprop-2-enyl]cyclopropane-1-carboxylate

ethyl 1-[(E)-3-phenylprop-2-enyl]cyclopropane-1-carboxylate (PubChem CID 134865085) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 1-[(E)-3-phenylprop-2-enyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(E)-3-phenylprop-2-enyl]cyclopropane-1-carboxylate
PubChem CID134865085
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Nameethyl 1-[(E)-3-phenylprop-2-enyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C15H18O2/c1-2-17-14(16)15(11-12-15)10-6-9-13-7-4-3-5-8-13/h3-9H,2,10-12H2,1H3/b9-6+
InChIKeyJKCJJPDIXRXVMQ-RMKNXTFCSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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ethyl (3R)-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
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ethyl (3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
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ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318
ethyl 1-(1H-imidazol-2-ylmethyl)-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
CID 45251716
ethyl (3S)-1-(5-methyl-1H-pyrazole-3-carbonyl)-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
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ethyl 1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
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ethyl 1-[3-(oxazinan-2-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
CID 45232755
ethyl (3S)-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
CID 25446678
ethyl 1-benzoyl-2-oxo-3-(3-phenylprop-2-enyl)piperidine-3-carboxylate
CID 175190047
ethyl (3S)-1-(4-oxo-3H-phthalazine-1-carbonyl)-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(E)-3-phenylprop-2-enyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[(E)-3-phenylprop-2-enyl]cyclopropane-1-carboxylate (CID 134865085) is ethyl 1-[(E)-3-phenylprop-2-enyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[(E)-3-phenylprop-2-enyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[(E)-3-phenylprop-2-enyl]cyclopropane-1-carboxylate is CCOC(=O)C1(C/C=C/c2ccccc2)CC1.
What is the InChIKey of ethyl 1-[(E)-3-phenylprop-2-enyl]cyclopropane-1-carboxylate?
The InChIKey is JKCJJPDIXRXVMQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-17-14(16)15(11-12-15)10-6-9-13-7-4-3-5-8-13/h3-9H,2,10-12H2,1H3/b9-6+.
What are the key properties of ethyl 1-[(E)-3-phenylprop-2-enyl]cyclopropane-1-carboxylate?
ethyl 1-[(E)-3-phenylprop-2-enyl]cyclopropane-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(E)-3-phenylprop-2-enyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 134865085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).