methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate

C12H16O3 — CID 112723028

IUPACmethyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate
SMILESCOC(=O)CCc1ccc(C2CC2C)o1
InChIInChI=1S/C12H16O3/c1-8-7-10(8)11-5-3-9(15-11)4-6-12(13)14-2/h3,5,8,10H,4,6-7H2,1-2H3
InChIKeyNIVVHQMMSVALJD-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.51
Rot. Bonds4

About methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate

methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate (PubChem CID 112723028) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate
PubChem CID112723028
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namemethyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate
SMILESCOC(=O)CCc1ccc(C2CC2C)o1
InChIInChI=1S/C12H16O3/c1-8-7-10(8)11-5-3-9(15-11)4-6-12(13)14-2/h3,5,8,10H,4,6-7H2,1-2H3
InChIKeyNIVVHQMMSVALJD-UHFFFAOYSA-N
XLogP2.51
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Resmethrin
CID 5053
Bioresmethrin
CID 162381
(+)-Cismethrin
CID 12708735
Ethyl 2-furanpropionate
CID 61450
Isobutyl-2-furanpropionate
CID 7733
4-(2-Furyl)-2-butanone
CID 12780
Ethyl 2-phenyl-3-furoate
CID 62007
Isoamyl 3-(2-furan)propionate
CID 538506
3-(5-Methyl-2-furyl)butanal
CID 3578033
3-(5-Phenylfuran-2-yl)propanoic acid
CID 593970
5-Methylfuran-2-propionaldehyde
CID 99537
(E)-6-Methyl-6-(5-methyl-2-furanyl)-3-hepten-2-one
CID 21767560

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate?
The IUPAC name of methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate (CID 112723028) is methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate.
What is the SMILES notation for methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate?
The canonical SMILES for methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate is COC(=O)CCc1ccc(C2CC2C)o1.
What is the InChIKey of methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate?
The InChIKey is NIVVHQMMSVALJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8-7-10(8)11-5-3-9(15-11)4-6-12(13)14-2/h3,5,8,10H,4,6-7H2,1-2H3.
What are the key properties of methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate?
methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate has a molecular weight of 208.26 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate is sourced from PubChem (CID 112723028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).