3-(2-prop-1-en-2-ylcyclopentanecarbonyl)-1,3-oxazolidin-2-one

C12H17NO3 — CID 101363299

IUPAC3-(2-prop-1-en-2-ylcyclopentanecarbonyl)-1,3-oxazolidin-2-one
SMILESC=C(C)C1CCCC1C(=O)N1CCOC1=O
InChIInChI=1S/C12H17NO3/c1-8(2)9-4-3-5-10(9)11(14)13-6-7-16-12(13)15/h9-10H,1,3-7H2,2H3
InChIKeyPTJPEFMLZKDACR-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.96
Rot. Bonds2

About 3-(2-prop-1-en-2-ylcyclopentanecarbonyl)-1,3-oxazolidin-2-one

3-(2-prop-1-en-2-ylcyclopentanecarbonyl)-1,3-oxazolidin-2-one (PubChem CID 101363299) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-(2-prop-1-en-2-ylcyclopentanecarbonyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-prop-1-en-2-ylcyclopentanecarbonyl)-1,3-oxazolidin-2-one
PubChem CID101363299
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-(2-prop-1-en-2-ylcyclopentanecarbonyl)-1,3-oxazolidin-2-one
SMILESC=C(C)C1CCCC1C(=O)N1CCOC1=O
InChIInChI=1S/C12H17NO3/c1-8(2)9-4-3-5-10(9)11(14)13-6-7-16-12(13)15/h9-10H,1,3-7H2,2H3
InChIKeyPTJPEFMLZKDACR-UHFFFAOYSA-N
XLogP1.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-prop-1-en-2-ylcyclopentanecarbonyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-prop-1-en-2-ylcyclopentanecarbonyl)-1,3-oxazolidin-2-one (CID 101363299) is 3-(2-prop-1-en-2-ylcyclopentanecarbonyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-prop-1-en-2-ylcyclopentanecarbonyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-prop-1-en-2-ylcyclopentanecarbonyl)-1,3-oxazolidin-2-one is C=C(C)C1CCCC1C(=O)N1CCOC1=O.
What is the InChIKey of 3-(2-prop-1-en-2-ylcyclopentanecarbonyl)-1,3-oxazolidin-2-one?
The InChIKey is PTJPEFMLZKDACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(2)9-4-3-5-10(9)11(14)13-6-7-16-12(13)15/h9-10H,1,3-7H2,2H3.
What are the key properties of 3-(2-prop-1-en-2-ylcyclopentanecarbonyl)-1,3-oxazolidin-2-one?
3-(2-prop-1-en-2-ylcyclopentanecarbonyl)-1,3-oxazolidin-2-one has a molecular weight of 223.27 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-prop-1-en-2-ylcyclopentanecarbonyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 101363299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).