1-(1,3-dihydroxy-2-methoxypentan-3-yl)pyrrole-2,5-dione

C10H15NO5 — CID 70954645

IUPAC1-(1,3-dihydroxy-2-methoxypentan-3-yl)pyrrole-2,5-dione
SMILESCCC(O)(C(CO)OC)N1C(=O)C=CC1=O
InChIInChI=1S/C10H15NO5/c1-3-10(15,7(6-12)16-2)11-8(13)4-5-9(11)14/h4-5,7,12,15H,3,6H2,1-2H3
InChIKeyWYFOVZVYYUZZGS-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.98
Rot. Bonds5

About 1-(1,3-dihydroxy-2-methoxypentan-3-yl)pyrrole-2,5-dione

1-(1,3-dihydroxy-2-methoxypentan-3-yl)pyrrole-2,5-dione (PubChem CID 70954645) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 1-(1,3-dihydroxy-2-methoxypentan-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1,3-dihydroxy-2-methoxypentan-3-yl)pyrrole-2,5-dione
PubChem CID70954645
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name1-(1,3-dihydroxy-2-methoxypentan-3-yl)pyrrole-2,5-dione
SMILESCCC(O)(C(CO)OC)N1C(=O)C=CC1=O
InChIInChI=1S/C10H15NO5/c1-3-10(15,7(6-12)16-2)11-8(13)4-5-9(11)14/h4-5,7,12,15H,3,6H2,1-2H3
InChIKeyWYFOVZVYYUZZGS-UHFFFAOYSA-N
XLogP-0.98
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroxy-2-methoxypentan-3-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(1,3-dihydroxy-2-methoxypentan-3-yl)pyrrole-2,5-dione (CID 70954645) is 1-(1,3-dihydroxy-2-methoxypentan-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1,3-dihydroxy-2-methoxypentan-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1,3-dihydroxy-2-methoxypentan-3-yl)pyrrole-2,5-dione is CCC(O)(C(CO)OC)N1C(=O)C=CC1=O.
What is the InChIKey of 1-(1,3-dihydroxy-2-methoxypentan-3-yl)pyrrole-2,5-dione?
The InChIKey is WYFOVZVYYUZZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-3-10(15,7(6-12)16-2)11-8(13)4-5-9(11)14/h4-5,7,12,15H,3,6H2,1-2H3.
What are the key properties of 1-(1,3-dihydroxy-2-methoxypentan-3-yl)pyrrole-2,5-dione?
1-(1,3-dihydroxy-2-methoxypentan-3-yl)pyrrole-2,5-dione has a molecular weight of 229.23 g/mol, XLogP of -0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroxy-2-methoxypentan-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 70954645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).