3-(1-methylpyrrolidin-2-yl)oxolane-2,5-dione

C9H13NO3 — CID 11126925

IUPAC3-(1-methylpyrrolidin-2-yl)oxolane-2,5-dione
SMILESCN1CCCC1C1CC(=O)OC1=O
InChIInChI=1S/C9H13NO3/c1-10-4-2-3-7(10)6-5-8(11)13-9(6)12/h6-7H,2-5H2,1H3
InChIKeyWOMUMDJPOSCTFI-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.17
Rot. Bonds1

About 3-(1-methylpyrrolidin-2-yl)oxolane-2,5-dione

3-(1-methylpyrrolidin-2-yl)oxolane-2,5-dione (PubChem CID 11126925) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-2-yl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-2-yl)oxolane-2,5-dione
PubChem CID11126925
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3-(1-methylpyrrolidin-2-yl)oxolane-2,5-dione
SMILESCN1CCCC1C1CC(=O)OC1=O
InChIInChI=1S/C9H13NO3/c1-10-4-2-3-7(10)6-5-8(11)13-9(6)12/h6-7H,2-5H2,1H3
InChIKeyWOMUMDJPOSCTFI-UHFFFAOYSA-N
XLogP0.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-2-yl)oxolane-2,5-dione?
The IUPAC name of 3-(1-methylpyrrolidin-2-yl)oxolane-2,5-dione (CID 11126925) is 3-(1-methylpyrrolidin-2-yl)oxolane-2,5-dione.
What is the SMILES notation for 3-(1-methylpyrrolidin-2-yl)oxolane-2,5-dione?
The canonical SMILES for 3-(1-methylpyrrolidin-2-yl)oxolane-2,5-dione is CN1CCCC1C1CC(=O)OC1=O.
What is the InChIKey of 3-(1-methylpyrrolidin-2-yl)oxolane-2,5-dione?
The InChIKey is WOMUMDJPOSCTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-10-4-2-3-7(10)6-5-8(11)13-9(6)12/h6-7H,2-5H2,1H3.
What are the key properties of 3-(1-methylpyrrolidin-2-yl)oxolane-2,5-dione?
3-(1-methylpyrrolidin-2-yl)oxolane-2,5-dione has a molecular weight of 183.21 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-2-yl)oxolane-2,5-dione is sourced from PubChem (CID 11126925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).