1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,4-dimethylpyrrole-2,5-dione

C10H15NO5 — CID 107849784

IUPAC1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(C(CO)(CO)CO)C1=O
InChIInChI=1S/C10H15NO5/c1-6-7(2)9(16)11(8(6)15)10(3-12,4-13)5-14/h12-14H,3-5H2,1-2H3
InChIKeySKAWMHOHFBFLJF-UHFFFAOYSA-N
MW229.23 g/mol
LogP-1.59
Rot. Bonds4

About 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,4-dimethylpyrrole-2,5-dione

1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,4-dimethylpyrrole-2,5-dione (PubChem CID 107849784) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,4-dimethylpyrrole-2,5-dione
PubChem CID107849784
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(C(CO)(CO)CO)C1=O
InChIInChI=1S/C10H15NO5/c1-6-7(2)9(16)11(8(6)15)10(3-12,4-13)5-14/h12-14H,3-5H2,1-2H3
InChIKeySKAWMHOHFBFLJF-UHFFFAOYSA-N
XLogP-1.59
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
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-(hydroxymethyl)propan-2-yl]-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,4-dimethylpyrrole-2,5-dione (CID 107849784) is 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,4-dimethylpyrrole-2,5-dione is CC1=C(C)C(=O)N(C(CO)(CO)CO)C1=O.
What is the InChIKey of 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is SKAWMHOHFBFLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-6-7(2)9(16)11(8(6)15)10(3-12,4-13)5-14/h12-14H,3-5H2,1-2H3.
What are the key properties of 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,4-dimethylpyrrole-2,5-dione?
1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 229.23 g/mol, XLogP of -1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 107849784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).