5-(cyclopropylmethyl)-4-hydroxy-5-methylfuran-2-one

C9H12O3 — CID 177220587

IUPAC5-(cyclopropylmethyl)-4-hydroxy-5-methylfuran-2-one
SMILESCC1(CC2CC2)OC(=O)C=C1O
InChIInChI=1S/C9H12O3/c1-9(5-6-2-3-6)7(10)4-8(11)12-9/h4,6,10H,2-3,5H2,1H3
InChIKeyJVMYIZKVUZETMP-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.54
Rot. Bonds2

About 5-(cyclopropylmethyl)-4-hydroxy-5-methylfuran-2-one

5-(cyclopropylmethyl)-4-hydroxy-5-methylfuran-2-one (PubChem CID 177220587) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-4-hydroxy-5-methylfuran-2-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-4-hydroxy-5-methylfuran-2-one
PubChem CID177220587
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name5-(cyclopropylmethyl)-4-hydroxy-5-methylfuran-2-one
SMILESCC1(CC2CC2)OC(=O)C=C1O
InChIInChI=1S/C9H12O3/c1-9(5-6-2-3-6)7(10)4-8(11)12-9/h4,6,10H,2-3,5H2,1H3
InChIKeyJVMYIZKVUZETMP-UHFFFAOYSA-N
XLogP1.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-4-hydroxy-5-methylfuran-2-one?
The IUPAC name of 5-(cyclopropylmethyl)-4-hydroxy-5-methylfuran-2-one (CID 177220587) is 5-(cyclopropylmethyl)-4-hydroxy-5-methylfuran-2-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-4-hydroxy-5-methylfuran-2-one?
The canonical SMILES for 5-(cyclopropylmethyl)-4-hydroxy-5-methylfuran-2-one is CC1(CC2CC2)OC(=O)C=C1O.
What is the InChIKey of 5-(cyclopropylmethyl)-4-hydroxy-5-methylfuran-2-one?
The InChIKey is JVMYIZKVUZETMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-9(5-6-2-3-6)7(10)4-8(11)12-9/h4,6,10H,2-3,5H2,1H3.
What are the key properties of 5-(cyclopropylmethyl)-4-hydroxy-5-methylfuran-2-one?
5-(cyclopropylmethyl)-4-hydroxy-5-methylfuran-2-one has a molecular weight of 168.19 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-4-hydroxy-5-methylfuran-2-one is sourced from PubChem (CID 177220587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).