ethyl 1-(furan-2-yl)cyclopropane-1-carboxylate

C10H12O3 — CID 105438633

IUPACethyl 1-(furan-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccco2)CC1
InChIInChI=1S/C10H12O3/c1-2-12-9(11)10(5-6-10)8-4-3-7-13-8/h3-4,7H,2,5-6H2,1H3
InChIKeyQFCFLZXWLZIRTC-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.87
Rot. Bonds3

About ethyl 1-(furan-2-yl)cyclopropane-1-carboxylate

ethyl 1-(furan-2-yl)cyclopropane-1-carboxylate (PubChem CID 105438633) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is ethyl 1-(furan-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(furan-2-yl)cyclopropane-1-carboxylate
PubChem CID105438633
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Nameethyl 1-(furan-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccco2)CC1
InChIInChI=1S/C10H12O3/c1-2-12-9(11)10(5-6-10)8-4-3-7-13-8/h3-4,7H,2,5-6H2,1H3
InChIKeyQFCFLZXWLZIRTC-UHFFFAOYSA-N
XLogP1.87
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[1-(furan-2-yl)cyclopropyl]acetate
CID 102087507
ethyl (2S,3S)-3-(furan-2-yl)-3-hydroxy-2-phenyloxolane-2-carboxylate
CID 122379690
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
CID 105426581
ethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate
CID 66765078
ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 86193109
ethyl 3-(furan-2-yl)-2-methyloxirane-2-carboxylate
CID 13177121
ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate
CID 15029983
O-[[1-(furan-2-yl)cyclopropyl]methyl]hydroxylamine
CID 83681987
ethyl 1-phenylcyclopent-2-ene-1-carboxylate
CID 10420867
ethyl 3-(furan-2-yl)-3-oxopropanoate
CID 2759240

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(furan-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(furan-2-yl)cyclopropane-1-carboxylate (CID 105438633) is ethyl 1-(furan-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(furan-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(furan-2-yl)cyclopropane-1-carboxylate is CCOC(=O)C1(c2ccco2)CC1.
What is the InChIKey of ethyl 1-(furan-2-yl)cyclopropane-1-carboxylate?
The InChIKey is QFCFLZXWLZIRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-2-12-9(11)10(5-6-10)8-4-3-7-13-8/h3-4,7H,2,5-6H2,1H3.
What are the key properties of ethyl 1-(furan-2-yl)cyclopropane-1-carboxylate?
ethyl 1-(furan-2-yl)cyclopropane-1-carboxylate has a molecular weight of 180.20 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(furan-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 105438633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).