2-hydroxy-1-methyl-4-propyl-2H-pyrrol-5-one

C8H13NO2 — CID 123934489

IUPAC2-hydroxy-1-methyl-4-propyl-2H-pyrrol-5-one
SMILESCCCC1=CC(O)N(C)C1=O
InChIInChI=1S/C8H13NO2/c1-3-4-6-5-7(10)9(2)8(6)11/h5,7,10H,3-4H2,1-2H3
InChIKeyNNZNRFCOISBAGN-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.50
Rot. Bonds2

About 2-hydroxy-1-methyl-4-propyl-2H-pyrrol-5-one

2-hydroxy-1-methyl-4-propyl-2H-pyrrol-5-one (PubChem CID 123934489) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-hydroxy-1-methyl-4-propyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-1-methyl-4-propyl-2H-pyrrol-5-one
PubChem CID123934489
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-hydroxy-1-methyl-4-propyl-2H-pyrrol-5-one
SMILESCCCC1=CC(O)N(C)C1=O
InChIInChI=1S/C8H13NO2/c1-3-4-6-5-7(10)9(2)8(6)11/h5,7,10H,3-4H2,1-2H3
InChIKeyNNZNRFCOISBAGN-UHFFFAOYSA-N
XLogP0.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(4E,8E)-10-hydroxy-N,4,8-trimethyl-N-prop-2-enyldeca-4,8-dienamide
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CID 88547652
2-hydroxy-1,4-di(propan-2-yl)-2H-pyrrol-5-one
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N-butyl-N-(6-hydroxy-4-methylhex-4-enyl)acetamide
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CID 135170551
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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-methyl-4-propyl-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-1-methyl-4-propyl-2H-pyrrol-5-one (CID 123934489) is 2-hydroxy-1-methyl-4-propyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-1-methyl-4-propyl-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-1-methyl-4-propyl-2H-pyrrol-5-one is CCCC1=CC(O)N(C)C1=O.
What is the InChIKey of 2-hydroxy-1-methyl-4-propyl-2H-pyrrol-5-one?
The InChIKey is NNZNRFCOISBAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-4-6-5-7(10)9(2)8(6)11/h5,7,10H,3-4H2,1-2H3.
What are the key properties of 2-hydroxy-1-methyl-4-propyl-2H-pyrrol-5-one?
2-hydroxy-1-methyl-4-propyl-2H-pyrrol-5-one has a molecular weight of 155.20 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-methyl-4-propyl-2H-pyrrol-5-one is sourced from PubChem (CID 123934489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).