1-(3,6-dihydro-2H-pyran-4-ylmethyl)pyrrole-2,5-dione

C10H11NO3 — CID 130942292

IUPAC1-(3,6-dihydro-2H-pyran-4-ylmethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC1=CCOCC1
InChIInChI=1S/C10H11NO3/c12-9-1-2-10(13)11(9)7-8-3-5-14-6-4-8/h1-3H,4-7H2
InChIKeyMAUPMAPEDAHBAM-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.26
Rot. Bonds2

About 1-(3,6-dihydro-2H-pyran-4-ylmethyl)pyrrole-2,5-dione

1-(3,6-dihydro-2H-pyran-4-ylmethyl)pyrrole-2,5-dione (PubChem CID 130942292) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyran-4-ylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyran-4-ylmethyl)pyrrole-2,5-dione
PubChem CID130942292
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name1-(3,6-dihydro-2H-pyran-4-ylmethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC1=CCOCC1
InChIInChI=1S/C10H11NO3/c12-9-1-2-10(13)11(9)7-8-3-5-14-6-4-8/h1-3H,4-7H2
InChIKeyMAUPMAPEDAHBAM-UHFFFAOYSA-N
XLogP0.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyran-4-ylmethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3,6-dihydro-2H-pyran-4-ylmethyl)pyrrole-2,5-dione (CID 130942292) is 1-(3,6-dihydro-2H-pyran-4-ylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyran-4-ylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3,6-dihydro-2H-pyran-4-ylmethyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CC1=CCOCC1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyran-4-ylmethyl)pyrrole-2,5-dione?
The InChIKey is MAUPMAPEDAHBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-9-1-2-10(13)11(9)7-8-3-5-14-6-4-8/h1-3H,4-7H2.
What are the key properties of 1-(3,6-dihydro-2H-pyran-4-ylmethyl)pyrrole-2,5-dione?
1-(3,6-dihydro-2H-pyran-4-ylmethyl)pyrrole-2,5-dione has a molecular weight of 193.20 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyran-4-ylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 130942292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).