(5R)-4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one

C8H13NO2 — CID 69070761

IUPAC(5R)-4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one
SMILESCC(C)[C@@]1(C)NC(=O)C=C1O
InChIInChI=1S/C8H13NO2/c1-5(2)8(3)6(10)4-7(11)9-8/h4-5,10H,1-3H3,(H,9,11)/t8-/m1/s1
InChIKeyMYJPAVUBEKFJJY-MRVPVSSYSA-N
MW155.20 g/mol
LogP0.97
Rot. Bonds1

About (5R)-4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one

(5R)-4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one (PubChem CID 69070761) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (5R)-4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one.

Molecular Properties

Compound Name(5R)-4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one
PubChem CID69070761
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(5R)-4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one
SMILESCC(C)[C@@]1(C)NC(=O)C=C1O
InChIInChI=1S/C8H13NO2/c1-5(2)8(3)6(10)4-7(11)9-8/h4-5,10H,1-3H3,(H,9,11)/t8-/m1/s1
InChIKeyMYJPAVUBEKFJJY-MRVPVSSYSA-N
XLogP0.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxy-6,6-dimethyl-5,6-dihydropyridin-2(1H)-one
CID 54712242
4-hydroxy-5,5-dimethyl-1,5-dihydro-2H-pyrrol-2-one
CID 66725429
4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one
CID 69070764
7-Hydroxy-4-azaspiro[2.4]hept-6-en-5-one
CID 89405313
8-Hydroxy-5-azaspiro[3.4]oct-7-en-6-one
CID 176031941
4-hydroxy-5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one
CID 98086764

Frequently Asked Questions

What is the IUPAC name of (5R)-4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one?
The IUPAC name of (5R)-4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one (CID 69070761) is (5R)-4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one.
What is the SMILES notation for (5R)-4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one?
The canonical SMILES for (5R)-4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one is CC(C)[C@@]1(C)NC(=O)C=C1O.
What is the InChIKey of (5R)-4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one?
The InChIKey is MYJPAVUBEKFJJY-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5(2)8(3)6(10)4-7(11)9-8/h4-5,10H,1-3H3,(H,9,11)/t8-/m1/s1.
What are the key properties of (5R)-4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one?
(5R)-4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one is sourced from PubChem (CID 69070761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).