2-[1-(5-methylfuran-2-yl)cyclopropyl]acetic acid

C10H12O3 — CID 83683572

IUPAC2-[1-(5-methylfuran-2-yl)cyclopropyl]acetic acid
SMILESCc1ccc(C2(CC(=O)O)CC2)o1
InChIInChI=1S/C10H12O3/c1-7-2-3-8(13-7)10(4-5-10)6-9(11)12/h2-3H,4-6H2,1H3,(H,11,12)
InChIKeyMSNFCDIJJAYUCF-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.09
Rot. Bonds3

About 2-[1-(5-methylfuran-2-yl)cyclopropyl]acetic acid

2-[1-(5-methylfuran-2-yl)cyclopropyl]acetic acid (PubChem CID 83683572) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-[1-(5-methylfuran-2-yl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-methylfuran-2-yl)cyclopropyl]acetic acid
PubChem CID83683572
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-[1-(5-methylfuran-2-yl)cyclopropyl]acetic acid
SMILESCc1ccc(C2(CC(=O)O)CC2)o1
InChIInChI=1S/C10H12O3/c1-7-2-3-8(13-7)10(4-5-10)6-9(11)12/h2-3H,4-6H2,1H3,(H,11,12)
InChIKeyMSNFCDIJJAYUCF-UHFFFAOYSA-N
XLogP2.09
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylfuran-2-yl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(5-methylfuran-2-yl)cyclopropyl]acetic acid (CID 83683572) is 2-[1-(5-methylfuran-2-yl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(5-methylfuran-2-yl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(5-methylfuran-2-yl)cyclopropyl]acetic acid is Cc1ccc(C2(CC(=O)O)CC2)o1.
What is the InChIKey of 2-[1-(5-methylfuran-2-yl)cyclopropyl]acetic acid?
The InChIKey is MSNFCDIJJAYUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7-2-3-8(13-7)10(4-5-10)6-9(11)12/h2-3H,4-6H2,1H3,(H,11,12).
What are the key properties of 2-[1-(5-methylfuran-2-yl)cyclopropyl]acetic acid?
2-[1-(5-methylfuran-2-yl)cyclopropyl]acetic acid has a molecular weight of 180.20 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylfuran-2-yl)cyclopropyl]acetic acid is sourced from PubChem (CID 83683572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).