(2R)-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one

C7H11NO2 — CID 131146974

IUPAC(2R)-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one
SMILESCC(C)[C@H]1NC(=O)C=C1O
InChIInChI=1S/C7H11NO2/c1-4(2)7-5(9)3-6(10)8-7/h3-4,7,9H,1-2H3,(H,8,10)/t7-/m1/s1
InChIKeyPZSSVTOYZDXYGI-SSDOTTSWSA-N
MW141.17 g/mol
LogP0.58
Rot. Bonds1

About (2R)-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one

(2R)-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one (PubChem CID 131146974) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one
PubChem CID131146974
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(2R)-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one
SMILESCC(C)[C@H]1NC(=O)C=C1O
InChIInChI=1S/C7H11NO2/c1-4(2)7-5(9)3-6(10)8-7/h3-4,7,9H,1-2H3,(H,8,10)/t7-/m1/s1
InChIKeyPZSSVTOYZDXYGI-SSDOTTSWSA-N
XLogP0.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-5-Isopropyl-4-methoxy-1H-pyrrol-2(5H)-one
CID 45095977
4-Hydroxy-5-methyl-1,5-dihydro-2H-pyrrol-2-one
CID 56604138
(S)-4-Hydroxy-5-methyl-1,5-dihydro-2H-pyrrol-2-one
CID 56604087
4-Hydroxy-5-isopropyl-1,5-dihydro-pyrrol-2-one
CID 56604111
(2S)-2-tert-butyl-3-hydroxy-1,2-dihydropyrrol-5-one
CID 57434337
N-(2-hydroxy-4-methylpent-1-en-3-yl)acetamide
CID 58379235
4-hydroxy-2,3-dimethyl-2,3-dihydro-1H-pyridin-6-one
CID 59936977
4-Hydroxy-5-isopropyl-1-methyl-1,5-dihydro-pyrrol-2-one
CID 69067127
3-Hydroxy-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one
CID 85685066
2-Butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one
CID 91618641
4-hydroxy-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one
CID 137433281
N-[2-[(2R,5R)-3-hydroxy-5-methyl-2,5-dihydro-1H-pyrrol-2-yl]ethyl]-3-methylbutanamide
CID 138462261

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one?
The IUPAC name of (2R)-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one (CID 131146974) is (2R)-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2R)-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2R)-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one is CC(C)[C@H]1NC(=O)C=C1O.
What is the InChIKey of (2R)-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one?
The InChIKey is PZSSVTOYZDXYGI-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4(2)7-5(9)3-6(10)8-7/h3-4,7,9H,1-2H3,(H,8,10)/t7-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one?
(2R)-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one has a molecular weight of 141.17 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 131146974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).