ethyl 2-(cyclohexylcarbamoyl)cyclopropane-1-carboxylate

C13H21NO3 — CID 102105181

IUPACethyl 2-(cyclohexylcarbamoyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C(=O)NC1CCCCC1
InChIInChI=1S/C13H21NO3/c1-2-17-13(16)11-8-10(11)12(15)14-9-6-4-3-5-7-9/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyBJXDBCCFKYJUEQ-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.63
Rot. Bonds4

About ethyl 2-(cyclohexylcarbamoyl)cyclopropane-1-carboxylate

ethyl 2-(cyclohexylcarbamoyl)cyclopropane-1-carboxylate (PubChem CID 102105181) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is ethyl 2-(cyclohexylcarbamoyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclohexylcarbamoyl)cyclopropane-1-carboxylate
PubChem CID102105181
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nameethyl 2-(cyclohexylcarbamoyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C(=O)NC1CCCCC1
InChIInChI=1S/C13H21NO3/c1-2-17-13(16)11-8-10(11)12(15)14-9-6-4-3-5-7-9/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyBJXDBCCFKYJUEQ-UHFFFAOYSA-N
XLogP1.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-N-dicyclohexylcyclopropane-1,2-dicarboxamide
CID 109132364
2-N-cycloheptyl-1-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132055
ethyl 4-[2-(cyclohexylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109132417
2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid
CID 4638930
1-N-cyclopentyl-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109131989
ethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate
CID 62361877
ethyl (E)-3-(cyclohexylamino)but-2-enoate
CID 15555337
2-N-cyclopentyl-1-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109132110
ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate
CID 54867024
ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate
CID 60934314
ethyl N-(cyclohexylcarbamothioylamino)carbamate
CID 2743224
2,3,3-trichloroprop-2-enyl (1S,6S)-6-(cycloheptylcarbamoyl)cyclohex-3-ene-1-carboxylate
CID 40538947

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclohexylcarbamoyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(cyclohexylcarbamoyl)cyclopropane-1-carboxylate (CID 102105181) is ethyl 2-(cyclohexylcarbamoyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(cyclohexylcarbamoyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(cyclohexylcarbamoyl)cyclopropane-1-carboxylate is CCOC(=O)C1CC1C(=O)NC1CCCCC1.
What is the InChIKey of ethyl 2-(cyclohexylcarbamoyl)cyclopropane-1-carboxylate?
The InChIKey is BJXDBCCFKYJUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-17-13(16)11-8-10(11)12(15)14-9-6-4-3-5-7-9/h9-11H,2-8H2,1H3,(H,14,15).
What are the key properties of ethyl 2-(cyclohexylcarbamoyl)cyclopropane-1-carboxylate?
ethyl 2-(cyclohexylcarbamoyl)cyclopropane-1-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclohexylcarbamoyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 102105181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).