1-(2-hydroxypropyl)-3-methylpyrrole-2,5-dione

C8H11NO3 — CID 61208098

IUPAC1-(2-hydroxypropyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CC(C)O)C1=O
InChIInChI=1S/C8H11NO3/c1-5-3-7(11)9(8(5)12)4-6(2)10/h3,6,10H,4H2,1-2H3
InChIKeyTYLDLPYPCCSHDF-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.32
Rot. Bonds2

About 1-(2-hydroxypropyl)-3-methylpyrrole-2,5-dione

1-(2-hydroxypropyl)-3-methylpyrrole-2,5-dione (PubChem CID 61208098) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-3-methylpyrrole-2,5-dione
PubChem CID61208098
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name1-(2-hydroxypropyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CC(C)O)C1=O
InChIInChI=1S/C8H11NO3/c1-5-3-7(11)9(8(5)12)4-6(2)10/h3,6,10H,4H2,1-2H3
InChIKeyTYLDLPYPCCSHDF-UHFFFAOYSA-N
XLogP-0.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-1-hydroxybutan-2-yl]-3-methylpyrrole-2,5-dione
CID 57328063
1-(2-hydroxypropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 12858661
2-Propenamide, N,N-bis(2-hydroxyethyl)-2-methyl-
CID 3084889
1-(2-methoxyethyl)-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 43346041
1-(2-Hydroxyethyl)-3,4-dimethyl-1H-pyrrole-2,5-dione
CID 15919476
1-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,5-dione
CID 307256
3-Methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrole-2,5-dione
CID 105649118
3,4-Dimethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrole-2,5-dione
CID 105649132
1-(3,3-Difluoro-2-hydroxypropyl)-3-methylpyrrole-2,5-dione
CID 105649220
1-(3,3-Difluoro-2-hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione
CID 105649232
N-(2-hydroxyethyl)-N,2-dimethylprop-2-enamide
CID 13531438
1-(2-Hydroxyethyl)-3-methyl-1H-pyrrole-2,5-dione
CID 17962376

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxypropyl)-3-methylpyrrole-2,5-dione (CID 61208098) is 1-(2-hydroxypropyl)-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxypropyl)-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxypropyl)-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(CC(C)O)C1=O.
What is the InChIKey of 1-(2-hydroxypropyl)-3-methylpyrrole-2,5-dione?
The InChIKey is TYLDLPYPCCSHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5-3-7(11)9(8(5)12)4-6(2)10/h3,6,10H,4H2,1-2H3.
What are the key properties of 1-(2-hydroxypropyl)-3-methylpyrrole-2,5-dione?
1-(2-hydroxypropyl)-3-methylpyrrole-2,5-dione has a molecular weight of 169.18 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 61208098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).