1-[(4-hydroxyoxan-4-yl)methyl]pyrrole-2,5-dione

C10H13NO4 — CID 81130834

IUPAC1-[(4-hydroxyoxan-4-yl)methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC1(O)CCOCC1
InChIInChI=1S/C10H13NO4/c12-8-1-2-9(13)11(8)7-10(14)3-5-15-6-4-10/h1-2,14H,3-7H2
InChIKeyGBWNBRKQSWXVRW-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.55
Rot. Bonds2

About 1-[(4-hydroxyoxan-4-yl)methyl]pyrrole-2,5-dione

1-[(4-hydroxyoxan-4-yl)methyl]pyrrole-2,5-dione (PubChem CID 81130834) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-[(4-hydroxyoxan-4-yl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(4-hydroxyoxan-4-yl)methyl]pyrrole-2,5-dione
PubChem CID81130834
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name1-[(4-hydroxyoxan-4-yl)methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC1(O)CCOCC1
InChIInChI=1S/C10H13NO4/c12-8-1-2-9(13)11(8)7-10(14)3-5-15-6-4-10/h1-2,14H,3-7H2
InChIKeyGBWNBRKQSWXVRW-UHFFFAOYSA-N
XLogP-0.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-hydroxyoxan-4-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 113269057
1-[(4-hydroxyoxan-4-yl)methyl]-4-methylpiperidine-2,6-dione
CID 81131359
2-[(4-hydroxyoxan-4-yl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 81130926
3-[(4-hydroxyoxan-4-yl)methyl]-1,3-oxazolidin-2-one
CID 104550613
1-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione
CID 81134502
1-[(2,5-dioxopyrrol-1-yl)methyl]cyclopropane-1-carboxylic acid
CID 115450308
1-[(4-hydroxy-3-oxo-1-bicyclo[2.2.1]heptanyl)methyl]pyrrole-2,5-dione
CID 139917277
2-[(4-hydroxyoxan-4-yl)methyl]-3,4-dihydroisoquinolin-1-one
CID 104550608
2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione
CID 106103032
4-(imidazol-1-ylmethyl)oxan-4-ol
CID 126856777
4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol
CID 84734865
1-[(2-ethyloxiran-2-yl)methyl]pyrrole-2,5-dione
CID 122459298

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyoxan-4-yl)methyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(4-hydroxyoxan-4-yl)methyl]pyrrole-2,5-dione (CID 81130834) is 1-[(4-hydroxyoxan-4-yl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(4-hydroxyoxan-4-yl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(4-hydroxyoxan-4-yl)methyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CC1(O)CCOCC1.
What is the InChIKey of 1-[(4-hydroxyoxan-4-yl)methyl]pyrrole-2,5-dione?
The InChIKey is GBWNBRKQSWXVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c12-8-1-2-9(13)11(8)7-10(14)3-5-15-6-4-10/h1-2,14H,3-7H2.
What are the key properties of 1-[(4-hydroxyoxan-4-yl)methyl]pyrrole-2,5-dione?
1-[(4-hydroxyoxan-4-yl)methyl]pyrrole-2,5-dione has a molecular weight of 211.22 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyoxan-4-yl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 81130834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).