4-butyl-5-methylidenefuran-2-one

C9H12O2 — CID 86080149

IUPAC4-butyl-5-methylidenefuran-2-one
SMILESC=C1OC(=O)C=C1CCCC
InChIInChI=1S/C9H12O2/c1-3-4-5-8-6-9(10)11-7(8)2/h6H,2-5H2,1H3
InChIKeyRBNHWTUVEKXOIC-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.17
Rot. Bonds3

About 4-butyl-5-methylidenefuran-2-one

4-butyl-5-methylidenefuran-2-one (PubChem CID 86080149) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 4-butyl-5-methylidenefuran-2-one.

Molecular Properties

Compound Name4-butyl-5-methylidenefuran-2-one
PubChem CID86080149
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name4-butyl-5-methylidenefuran-2-one
SMILESC=C1OC(=O)C=C1CCCC
InChIInChI=1S/C9H12O2/c1-3-4-5-8-6-9(10)11-7(8)2/h6H,2-5H2,1H3
InChIKeyRBNHWTUVEKXOIC-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-methylidenefuran-2-one?
The IUPAC name of 4-butyl-5-methylidenefuran-2-one (CID 86080149) is 4-butyl-5-methylidenefuran-2-one.
What is the SMILES notation for 4-butyl-5-methylidenefuran-2-one?
The canonical SMILES for 4-butyl-5-methylidenefuran-2-one is C=C1OC(=O)C=C1CCCC.
What is the InChIKey of 4-butyl-5-methylidenefuran-2-one?
The InChIKey is RBNHWTUVEKXOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-4-5-8-6-9(10)11-7(8)2/h6H,2-5H2,1H3.
What are the key properties of 4-butyl-5-methylidenefuran-2-one?
4-butyl-5-methylidenefuran-2-one has a molecular weight of 152.19 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-methylidenefuran-2-one is sourced from PubChem (CID 86080149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).