4-hydroxy-5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one

C9H15NO2 — CID 98086764

IUPAC4-hydroxy-5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one
SMILESCC(C)C1=C(O)C(C)(C)NC1=O
InChIInChI=1S/C9H15NO2/c1-5(2)6-7(11)9(3,4)10-8(6)12/h5,11H,1-4H3,(H,10,12)
InChIKeyARBZQWHWZINNEQ-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.36
Rot. Bonds1

About 4-hydroxy-5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one

4-hydroxy-5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one (PubChem CID 98086764) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-hydroxy-5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one.

Molecular Properties

Compound Name4-hydroxy-5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one
PubChem CID98086764
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-hydroxy-5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one
SMILESCC(C)C1=C(O)C(C)(C)NC1=O
InChIInChI=1S/C9H15NO2/c1-5(2)6-7(11)9(3,4)10-8(6)12/h5,11H,1-4H3,(H,10,12)
InChIKeyARBZQWHWZINNEQ-UHFFFAOYSA-N
XLogP1.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Hydroxy-3,4-dimethyl-2,6(1H,3H)-pyridinedione
CID 129940010
3-Hydroxy-4-propan-2-ylpyrrole-2,5-dione
CID 54706375
3-acetyl-4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one
CID 68007633
(R)-4-hydroxy-5-isopropyl-5-methyl-1,5-dihydro-pyrrol-2-one
CID 69070761
4-hydroxy-5-methyl-5-propan-2-yl-1H-pyrrol-2-one
CID 69070764
4-hydroxy-3,5,5-trimethyl-1H-pyrrol-2-one
CID 90349417
7-Hydroxy-2,6-dimethyl-4-azaspiro[2.4]hept-6-en-5-one
CID 146783294
3-acetyl-4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one;zinc
CID 163722649
3-acetyl-4-hydroxy-5-methyl-5-propyl-1H-pyrrol-2-one
CID 130006638

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one?
The IUPAC name of 4-hydroxy-5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one (CID 98086764) is 4-hydroxy-5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one.
What is the SMILES notation for 4-hydroxy-5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one?
The canonical SMILES for 4-hydroxy-5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one is CC(C)C1=C(O)C(C)(C)NC1=O.
What is the InChIKey of 4-hydroxy-5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one?
The InChIKey is ARBZQWHWZINNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-5(2)6-7(11)9(3,4)10-8(6)12/h5,11H,1-4H3,(H,10,12).
What are the key properties of 4-hydroxy-5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one?
4-hydroxy-5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one has a molecular weight of 169.22 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one is sourced from PubChem (CID 98086764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).