5-cyclopropyl-2-methylfuran-3-carboxylic acid

C9H10O3 — CID 649388

IUPAC5-cyclopropyl-2-methylfuran-3-carboxylic acid
SMILESCc1oc(C2CC2)cc1C(=O)O
InChIInChI=1S/C9H10O3/c1-5-7(9(10)11)4-8(12-5)6-2-3-6/h4,6H,2-3H2,1H3,(H,10,11)
InChIKeyVAMPCJBRSOYETO-UHFFFAOYSA-N
MW166.18 g/mol
LogP2.16
Rot. Bonds2

About 5-cyclopropyl-2-methylfuran-3-carboxylic acid

5-cyclopropyl-2-methylfuran-3-carboxylic acid (PubChem CID 649388) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-cyclopropyl-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-methylfuran-3-carboxylic acid
PubChem CID649388
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name5-cyclopropyl-2-methylfuran-3-carboxylic acid
SMILESCc1oc(C2CC2)cc1C(=O)O
InChIInChI=1S/C9H10O3/c1-5-7(9(10)11)4-8(12-5)6-2-3-6/h4,6H,2-3H2,1H3,(H,10,11)
InChIKeyVAMPCJBRSOYETO-UHFFFAOYSA-N
XLogP2.16
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-methylfuran-3-carboxylic acid (CID 649388) is 5-cyclopropyl-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-methylfuran-3-carboxylic acid is Cc1oc(C2CC2)cc1C(=O)O.
What is the InChIKey of 5-cyclopropyl-2-methylfuran-3-carboxylic acid?
The InChIKey is VAMPCJBRSOYETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-5-7(9(10)11)4-8(12-5)6-2-3-6/h4,6H,2-3H2,1H3,(H,10,11).
What are the key properties of 5-cyclopropyl-2-methylfuran-3-carboxylic acid?
5-cyclopropyl-2-methylfuran-3-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 649388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).