5-hydroxy-5-methyl-1-prop-2-ynylpyrrol-2-one

C8H9NO2 — CID 154691420

IUPAC5-hydroxy-5-methyl-1-prop-2-ynylpyrrol-2-one
SMILESC#CCN1C(=O)C=CC1(C)O
InChIInChI=1S/C8H9NO2/c1-3-6-9-7(10)4-5-8(9,2)11/h1,4-5,11H,6H2,2H3
InChIKeyFLFZRRVRHMFZGF-UHFFFAOYSA-N
MW151.16 g/mol
LogP-0.27
Rot. Bonds1

About 5-hydroxy-5-methyl-1-prop-2-ynylpyrrol-2-one

5-hydroxy-5-methyl-1-prop-2-ynylpyrrol-2-one (PubChem CID 154691420) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 5-hydroxy-5-methyl-1-prop-2-ynylpyrrol-2-one.

Molecular Properties

Compound Name5-hydroxy-5-methyl-1-prop-2-ynylpyrrol-2-one
PubChem CID154691420
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name5-hydroxy-5-methyl-1-prop-2-ynylpyrrol-2-one
SMILESC#CCN1C(=O)C=CC1(C)O
InChIInChI=1S/C8H9NO2/c1-3-6-9-7(10)4-5-8(9,2)11/h1,4-5,11H,6H2,2H3
InChIKeyFLFZRRVRHMFZGF-UHFFFAOYSA-N
XLogP-0.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-methyl-1-prop-2-ynylpyrrol-2-one?
The IUPAC name of 5-hydroxy-5-methyl-1-prop-2-ynylpyrrol-2-one (CID 154691420) is 5-hydroxy-5-methyl-1-prop-2-ynylpyrrol-2-one.
What is the SMILES notation for 5-hydroxy-5-methyl-1-prop-2-ynylpyrrol-2-one?
The canonical SMILES for 5-hydroxy-5-methyl-1-prop-2-ynylpyrrol-2-one is C#CCN1C(=O)C=CC1(C)O.
What is the InChIKey of 5-hydroxy-5-methyl-1-prop-2-ynylpyrrol-2-one?
The InChIKey is FLFZRRVRHMFZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-3-6-9-7(10)4-5-8(9,2)11/h1,4-5,11H,6H2,2H3.
What are the key properties of 5-hydroxy-5-methyl-1-prop-2-ynylpyrrol-2-one?
5-hydroxy-5-methyl-1-prop-2-ynylpyrrol-2-one has a molecular weight of 151.16 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-methyl-1-prop-2-ynylpyrrol-2-one is sourced from PubChem (CID 154691420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).