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

C8H13NO2 — CID 69070764

IUPAC4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one
SMILESCC(C)C1(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)
InChIKeyMYJPAVUBEKFJJY-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.97
Rot. Bonds1

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

4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one (PubChem CID 69070764) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one
PubChem CID69070764
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one
SMILESCC(C)C1(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)
InChIKeyMYJPAVUBEKFJJY-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one?
The IUPAC name of 4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one (CID 69070764) is 4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one.
What is the SMILES notation for 4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one?
The canonical SMILES for 4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one is CC(C)C1(C)NC(=O)C=C1O.
What is the InChIKey of 4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one?
The InChIKey is MYJPAVUBEKFJJY-UHFFFAOYSA-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).
What are the key properties of 4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one?
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 4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one is sourced from PubChem (CID 69070764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).