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

C7H11NO2 — CID 141064944

IUPAC4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
SMILESCC(C)N1CC=C(O)C1=O
InChIInChI=1S/C7H11NO2/c1-5(2)8-4-3-6(9)7(8)10/h3,5,9H,4H2,1-2H3
InChIKeyVQJRHFWQXXIMFF-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.68
Rot. Bonds1

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

4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one (PubChem CID 141064944) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
PubChem CID141064944
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
SMILESCC(C)N1CC=C(O)C1=O
InChIInChI=1S/C7H11NO2/c1-5(2)8-4-3-6(9)7(8)10/h3,5,9H,4H2,1-2H3
InChIKeyVQJRHFWQXXIMFF-UHFFFAOYSA-N
XLogP0.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-Aminopropyl)-3-hydroxy-3-pyrrolin-2-one
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4-hydroxy-1-methyl-2H-pyrrol-5-one
CID 22156365
3-hydroxy-1-methyl-2H-pyrrol-5-one
CID 54697241
3,4-Dihydroxy-1-methyl-1H-pyrrol-2(5H)-one
CID 54712605
4-methoxy-1-propan-2-yl-2H-pyrrol-5-one
CID 66789780
1-Ethyl-3-hydroxypyrrole-2,5-dione
CID 66875867
1-cyclopentyl-4-hydroxy-2H-pyrrol-5-one
CID 69765926
N,N-diethyl-2-hydroxyprop-2-enamide
CID 87285418
4-hydroxy-1-pentyl-2H-pyrrol-5-one
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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one (CID 141064944) is 4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one is CC(C)N1CC=C(O)C1=O.
What is the InChIKey of 4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
The InChIKey is VQJRHFWQXXIMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5(2)8-4-3-6(9)7(8)10/h3,5,9H,4H2,1-2H3.
What are the key properties of 4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one has a molecular weight of 141.17 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 141064944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).