1-[(2S)-oxolan-2-yl]pent-4-en-1-one

C9H14O2 — CID 129365967

IUPAC1-[(2S)-oxolan-2-yl]pent-4-en-1-one
SMILESC=CCCC(=O)[C@@H]1CCCO1
InChIInChI=1S/C9H14O2/c1-2-3-5-8(10)9-6-4-7-11-9/h2,9H,1,3-7H2/t9-/m0/s1
InChIKeyRZVGXTRRMBCUFC-VIFPVBQESA-N
MW154.21 g/mol
LogP1.70
Rot. Bonds4

About 1-[(2S)-oxolan-2-yl]pent-4-en-1-one

1-[(2S)-oxolan-2-yl]pent-4-en-1-one (PubChem CID 129365967) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-[(2S)-oxolan-2-yl]pent-4-en-1-one.

Molecular Properties

Compound Name1-[(2S)-oxolan-2-yl]pent-4-en-1-one
PubChem CID129365967
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-[(2S)-oxolan-2-yl]pent-4-en-1-one
SMILESC=CCCC(=O)[C@@H]1CCCO1
InChIInChI=1S/C9H14O2/c1-2-3-5-8(10)9-6-4-7-11-9/h2,9H,1,3-7H2/t9-/m0/s1
InChIKeyRZVGXTRRMBCUFC-VIFPVBQESA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.70
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

(2R)-N-but-3-enyloxolane-2-carboxamide
CID 104861411
but-3-enyl (2R)-oxolane-2-carboxylate
CID 101466422
3-oxo-3-(oxolan-2-yl)propanal
CID 130577622
prop-2-enyl (2S)-oxolane-2-carboxylate
CID 93497313
1-(oxolan-2-yl)hept-6-en-3-one
CID 114974959
3-methyl-1-(oxolan-2-yl)butan-1-one
CID 23514782
1-(oxan-2-yl)nonan-1-one
CID 114966896
1-(oxan-2-yl)pent-4-yn-1-one
CID 86584815
N-ethyl-N-prop-2-enyloxolane-2-carboxamide
CID 84558498
5-methyl-1-(oxan-2-yl)hexan-1-one
CID 115795492
1-(oxan-2-yl)hex-5-yn-1-one
CID 115798623
2-cyclopentyl-1-(oxan-2-yl)ethanone
CID 114969343

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-oxolan-2-yl]pent-4-en-1-one?
The IUPAC name of 1-[(2S)-oxolan-2-yl]pent-4-en-1-one (CID 129365967) is 1-[(2S)-oxolan-2-yl]pent-4-en-1-one.
What is the SMILES notation for 1-[(2S)-oxolan-2-yl]pent-4-en-1-one?
The canonical SMILES for 1-[(2S)-oxolan-2-yl]pent-4-en-1-one is C=CCCC(=O)[C@@H]1CCCO1.
What is the InChIKey of 1-[(2S)-oxolan-2-yl]pent-4-en-1-one?
The InChIKey is RZVGXTRRMBCUFC-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14O2/c1-2-3-5-8(10)9-6-4-7-11-9/h2,9H,1,3-7H2/t9-/m0/s1.
What are the key properties of 1-[(2S)-oxolan-2-yl]pent-4-en-1-one?
1-[(2S)-oxolan-2-yl]pent-4-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-oxolan-2-yl]pent-4-en-1-one is sourced from PubChem (CID 129365967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).