1-[(2R)-1-hydroxybutan-2-yl]-3-methylpyrrole-2,5-dione

C9H13NO3 — CID 57328063

IUPAC1-[(2R)-1-hydroxybutan-2-yl]-3-methylpyrrole-2,5-dione
SMILESCC[C@H](CO)N1C(=O)C=C(C)C1=O
InChIInChI=1S/C9H13NO3/c1-3-7(5-11)10-8(12)4-6(2)9(10)13/h4,7,11H,3,5H2,1-2H3/t7-/m1/s1
InChIKeyMTDQZMVITWRXRO-SSDOTTSWSA-N
MW183.21 g/mol
LogP0.07
Rot. Bonds3

About 1-[(2R)-1-hydroxybutan-2-yl]-3-methylpyrrole-2,5-dione

1-[(2R)-1-hydroxybutan-2-yl]-3-methylpyrrole-2,5-dione (PubChem CID 57328063) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxybutan-2-yl]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(2R)-1-hydroxybutan-2-yl]-3-methylpyrrole-2,5-dione
PubChem CID57328063
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-[(2R)-1-hydroxybutan-2-yl]-3-methylpyrrole-2,5-dione
SMILESCC[C@H](CO)N1C(=O)C=C(C)C1=O
InChIInChI=1S/C9H13NO3/c1-3-7(5-11)10-8(12)4-6(2)9(10)13/h4,7,11H,3,5H2,1-2H3/t7-/m1/s1
InChIKeyMTDQZMVITWRXRO-SSDOTTSWSA-N
XLogP0.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.07
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-(2-Hydroxyethyl)-3,4-dimethyl-1H-pyrrole-2,5-dione
CID 15919476
1-(2-Hydroxyethyl)-3-methyl-1H-pyrrole-2,5-dione
CID 17962376
1-(4-Hydroxybutan-2-yl)pyrrole-2,5-dione
CID 20437108
1-(1-Hydroxybutan-2-yl)pyrrole-2,5-dione
CID 22114709
1-(1-hydroxypropan-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 22114713
1-(2,3-Dihydroxypropyl)-3-methylpyrrole-2,5-dione
CID 54126600
N-(1,3-dihydroxypropan-2-yl)-N-(hydroxymethyl)-2-methylprop-2-enamide
CID 54441250
1-(3-Hydroxypropyl)-3-methylpyrrole-2,5-dione
CID 61206770
1-(1,3-Dihydroxypropyl)-3-methylpyrrole-2,5-dione
CID 67833047
1-(2-Hydroxyethyl)pyrrole-2,5-dione;2-methylprop-1-ene
CID 69854963
1-(1-Hydroxy-3-methylbutan-2-yl)pyrrole-2,5-dione
CID 79244134
N-(2-hydroxyethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
CID 87350370

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-hydroxybutan-2-yl]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[(2R)-1-hydroxybutan-2-yl]-3-methylpyrrole-2,5-dione (CID 57328063) is 1-[(2R)-1-hydroxybutan-2-yl]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[(2R)-1-hydroxybutan-2-yl]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[(2R)-1-hydroxybutan-2-yl]-3-methylpyrrole-2,5-dione is CC[C@H](CO)N1C(=O)C=C(C)C1=O.
What is the InChIKey of 1-[(2R)-1-hydroxybutan-2-yl]-3-methylpyrrole-2,5-dione?
The InChIKey is MTDQZMVITWRXRO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13NO3/c1-3-7(5-11)10-8(12)4-6(2)9(10)13/h4,7,11H,3,5H2,1-2H3/t7-/m1/s1.
What are the key properties of 1-[(2R)-1-hydroxybutan-2-yl]-3-methylpyrrole-2,5-dione?
1-[(2R)-1-hydroxybutan-2-yl]-3-methylpyrrole-2,5-dione has a molecular weight of 183.21 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxybutan-2-yl]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 57328063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).