5-(oxolan-3-yl)pent-1-en-3-one

C9H14O2 — CID 131226975

IUPAC5-(oxolan-3-yl)pent-1-en-3-one
SMILESC=CC(=O)CCC1CCOC1
InChIInChI=1S/C9H14O2/c1-2-9(10)4-3-8-5-6-11-7-8/h2,8H,1,3-7H2
InChIKeyAOVZJFDBGCTFCP-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.56
Rot. Bonds4

About 5-(oxolan-3-yl)pent-1-en-3-one

5-(oxolan-3-yl)pent-1-en-3-one (PubChem CID 131226975) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-(oxolan-3-yl)pent-1-en-3-one.

Molecular Properties

Compound Name5-(oxolan-3-yl)pent-1-en-3-one
PubChem CID131226975
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name5-(oxolan-3-yl)pent-1-en-3-one
SMILESC=CC(=O)CCC1CCOC1
InChIInChI=1S/C9H14O2/c1-2-9(10)4-3-8-5-6-11-7-8/h2,8H,1,3-7H2
InChIKeyAOVZJFDBGCTFCP-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(oxolan-3-yl)pentanoic acid
CID 142409072
ethyl 3-[(3R)-oxolan-3-yl]propanoate
CID 86314190
5-(1-iodopiperidin-4-yl)pent-1-en-3-one
CID 155188963
3-[3-(oxolan-3-yl)propanoylamino]propanoic acid
CID 119351070
5-oxo-8-(oxolan-3-yl)octanal
CID 142212118
4,4-dimethyl-1-(oxan-3-yl)pentan-3-one
CID 107137760
3-prop-2-enyloxolane
CID 22481091
dihydroxy(oxo)silane;oxolan-3-ylmethanol
CID 70548598
2-[methyl-[3-(oxolan-3-yl)propanoyl]amino]propanoic acid
CID 119358520
(3S)-3-(2-iodoethyl)oxolane
CID 97296763
2-(oxolan-3-yl)ethanamine
CID 22355254
1-(oxan-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986313

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-yl)pent-1-en-3-one?
The IUPAC name of 5-(oxolan-3-yl)pent-1-en-3-one (CID 131226975) is 5-(oxolan-3-yl)pent-1-en-3-one.
What is the SMILES notation for 5-(oxolan-3-yl)pent-1-en-3-one?
The canonical SMILES for 5-(oxolan-3-yl)pent-1-en-3-one is C=CC(=O)CCC1CCOC1.
What is the InChIKey of 5-(oxolan-3-yl)pent-1-en-3-one?
The InChIKey is AOVZJFDBGCTFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-9(10)4-3-8-5-6-11-7-8/h2,8H,1,3-7H2.
What are the key properties of 5-(oxolan-3-yl)pent-1-en-3-one?
5-(oxolan-3-yl)pent-1-en-3-one has a molecular weight of 154.21 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-yl)pent-1-en-3-one is sourced from PubChem (CID 131226975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).