2-[(Z)-pent-2-enyl]-2H-furan-5-one

C9H12O2 — CID 56936041

IUPAC2-[(Z)-pent-2-enyl]-2H-furan-5-one
SMILESCC/C=C\CC1C=CC(=O)O1
InChIInChI=1S/C9H12O2/c1-2-3-4-5-8-6-7-9(10)11-8/h3-4,6-8H,2,5H2,1H3/b4-3-
InChIKeyLBJZIOKZMWWEQD-ARJAWSKDSA-N
MW152.19 g/mol
LogP1.82
Rot. Bonds3

About 2-[(Z)-pent-2-enyl]-2H-furan-5-one

2-[(Z)-pent-2-enyl]-2H-furan-5-one (PubChem CID 56936041) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-[(Z)-pent-2-enyl]-2H-furan-5-one.

Molecular Properties

Compound Name2-[(Z)-pent-2-enyl]-2H-furan-5-one
PubChem CID56936041
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-[(Z)-pent-2-enyl]-2H-furan-5-one
SMILESCC/C=C\CC1C=CC(=O)O1
InChIInChI=1S/C9H12O2/c1-2-3-4-5-8-6-7-9(10)11-8/h3-4,6-8H,2,5H2,1H3/b4-3-
InChIKeyLBJZIOKZMWWEQD-ARJAWSKDSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxy-2-pentenoic acid gamma-lactone
CID 11558
Ethyl (E)-2-heptenoate
CID 5358363
2-Nonenoic acid gamma-lactone
CID 89559
Ethyl trans-2-hexenoate
CID 5364778
3-Hexenyl-2-butenoate, (2E,3Z)-
CID 16220110
Parasorbic acid
CID 441575
3-Hexenyl 2-hexenoate, (3Z,2E)-
CID 5367679
5-ethyl-2(5H)-furanone
CID 16997
Ethyl 2-octenoate, (2E)-
CID 5364399
Ethyl hex-2-enoate
CID 519129
Ethyl pent-2-enoate
CID 102263
Butyl hex-2-enoate
CID 575426

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-pent-2-enyl]-2H-furan-5-one?
The IUPAC name of 2-[(Z)-pent-2-enyl]-2H-furan-5-one (CID 56936041) is 2-[(Z)-pent-2-enyl]-2H-furan-5-one.
What is the SMILES notation for 2-[(Z)-pent-2-enyl]-2H-furan-5-one?
The canonical SMILES for 2-[(Z)-pent-2-enyl]-2H-furan-5-one is CC/C=C\CC1C=CC(=O)O1.
What is the InChIKey of 2-[(Z)-pent-2-enyl]-2H-furan-5-one?
The InChIKey is LBJZIOKZMWWEQD-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-3-4-5-8-6-7-9(10)11-8/h3-4,6-8H,2,5H2,1H3/b4-3-.
What are the key properties of 2-[(Z)-pent-2-enyl]-2H-furan-5-one?
2-[(Z)-pent-2-enyl]-2H-furan-5-one has a molecular weight of 152.19 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-pent-2-enyl]-2H-furan-5-one is sourced from PubChem (CID 56936041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).