1-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidine-2,4-dione

C10H13NO3 — CID 130847043

IUPAC1-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(CC2CCC=CO2)C1
InChIInChI=1S/C10H13NO3/c12-8-5-10(13)11(6-8)7-9-3-1-2-4-14-9/h2,4,9H,1,3,5-7H2
InChIKeyUMEUBNHJZDLCFT-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.48
Rot. Bonds2

About 1-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidine-2,4-dione

1-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidine-2,4-dione (PubChem CID 130847043) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidine-2,4-dione
PubChem CID130847043
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(CC2CCC=CO2)C1
InChIInChI=1S/C10H13NO3/c12-8-5-10(13)11(6-8)7-9-3-1-2-4-14-9/h2,4,9H,1,3,5-7H2
InChIKeyUMEUBNHJZDLCFT-UHFFFAOYSA-N
XLogP0.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydro-2H-pyran-2-yl(pyrrolidin-1-yl)methanone
CID 131065010

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidine-2,4-dione?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidine-2,4-dione (CID 130847043) is 1-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidine-2,4-dione.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidine-2,4-dione?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidine-2,4-dione is O=C1CC(=O)N(CC2CCC=CO2)C1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidine-2,4-dione?
The InChIKey is UMEUBNHJZDLCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-8-5-10(13)11(6-8)7-9-3-1-2-4-14-9/h2,4,9H,1,3,5-7H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidine-2,4-dione?
1-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidine-2,4-dione has a molecular weight of 195.22 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 130847043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).