(2S)-2-pent-4-enyl-2H-furan-5-one

C9H12O2 — CID 135012862

IUPAC(2S)-2-pent-4-enyl-2H-furan-5-one
SMILESC=CCCC[C@H]1C=CC(=O)O1
InChIInChI=1S/C9H12O2/c1-2-3-4-5-8-6-7-9(10)11-8/h2,6-8H,1,3-5H2/t8-/m0/s1
InChIKeyJVEMKHKTRYIIGM-QMMMGPOBSA-N
MW152.19 g/mol
LogP1.82
Rot. Bonds4

About (2S)-2-pent-4-enyl-2H-furan-5-one

(2S)-2-pent-4-enyl-2H-furan-5-one (PubChem CID 135012862) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (2S)-2-pent-4-enyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-pent-4-enyl-2H-furan-5-one
PubChem CID135012862
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(2S)-2-pent-4-enyl-2H-furan-5-one
SMILESC=CCCC[C@H]1C=CC(=O)O1
InChIInChI=1S/C9H12O2/c1-2-3-4-5-8-6-7-9(10)11-8/h2,6-8H,1,3-5H2/t8-/m0/s1
InChIKeyJVEMKHKTRYIIGM-QMMMGPOBSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Nonenoic acid gamma-lactone
CID 89559
Massoia Lactone
CID 642793
Hexyl 2-hexenoate, (2E)-
CID 6435861
5-ethyl-2(5H)-furanone
CID 16997
Ethyl 2-octenoate, (2E)-
CID 5364399
5-hexylfuran-2(5H)-one
CID 102833
(+-)-Massoia lactone
CID 39914
Butyl oct-2-enoate
CID 93661
Ethyl (2Z)-oct-2-enoate
CID 5352768
Ethyl (E)-2-octenoate
CID 23832
6-propyl-5,6-dihydro-2H-pyran-2-one
CID 13949543
Ethyl (2E,6Z)-dodeca-2,6-dienoate
CID 6438206

Frequently Asked Questions

What is the IUPAC name of (2S)-2-pent-4-enyl-2H-furan-5-one?
The IUPAC name of (2S)-2-pent-4-enyl-2H-furan-5-one (CID 135012862) is (2S)-2-pent-4-enyl-2H-furan-5-one.
What is the SMILES notation for (2S)-2-pent-4-enyl-2H-furan-5-one?
The canonical SMILES for (2S)-2-pent-4-enyl-2H-furan-5-one is C=CCCC[C@H]1C=CC(=O)O1.
What is the InChIKey of (2S)-2-pent-4-enyl-2H-furan-5-one?
The InChIKey is JVEMKHKTRYIIGM-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-3-4-5-8-6-7-9(10)11-8/h2,6-8H,1,3-5H2/t8-/m0/s1.
What are the key properties of (2S)-2-pent-4-enyl-2H-furan-5-one?
(2S)-2-pent-4-enyl-2H-furan-5-one has a molecular weight of 152.19 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-pent-4-enyl-2H-furan-5-one is sourced from PubChem (CID 135012862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).