ethyl 1-benzylcyclopropane-1-carboxylate

C13H16O2 — CID 12619318

IUPACethyl 1-benzylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2)CC1
InChIInChI=1S/C13H16O2/c1-2-15-12(14)13(8-9-13)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyHRJQJUHXRAWVNS-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.57
Rot. Bonds4

About ethyl 1-benzylcyclopropane-1-carboxylate

ethyl 1-benzylcyclopropane-1-carboxylate (PubChem CID 12619318) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is ethyl 1-benzylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzylcyclopropane-1-carboxylate
PubChem CID12619318
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Nameethyl 1-benzylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2)CC1
InChIInChI=1S/C13H16O2/c1-2-15-12(14)13(8-9-13)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyHRJQJUHXRAWVNS-UHFFFAOYSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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ethyl 1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopropane-1-carboxylate
CID 142527026
ethyl (3S)-3-benzylpiperidine-3-carboxylate
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ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate
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ethyl 1-[(3-acetylphenyl)methyl]-4-benzylpiperidine-4-carboxylate
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ethyl 1-[(2,6-dichlorophenyl)methyl]cyclopropane-1-carboxylate
CID 125471436
ethyl 3-benzyl-1-(ethylcarbamoyl)piperidine-3-carboxylate
CID 45244971
1-benzylcyclopropane-1-carboxylic acid
CID 562561
ethyl 1-[(3-phenylphenyl)methyl]cyclopent-3-ene-1-carboxylate
CID 171504806
ethyl 1-(benzylcarbamoyl)-4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate
CID 26409521
ethyl 2-benzylpyrrolidine-2-carboxylate
CID 75525875
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-benzylcyclopropane-1-carboxylate (CID 12619318) is ethyl 1-benzylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-benzylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-benzylcyclopropane-1-carboxylate is CCOC(=O)C1(Cc2ccccc2)CC1.
What is the InChIKey of ethyl 1-benzylcyclopropane-1-carboxylate?
The InChIKey is HRJQJUHXRAWVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-15-12(14)13(8-9-13)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3.
What are the key properties of ethyl 1-benzylcyclopropane-1-carboxylate?
ethyl 1-benzylcyclopropane-1-carboxylate has a molecular weight of 204.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzylcyclopropane-1-carboxylate is sourced from PubChem (CID 12619318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).