1-butyl-2-hydroxy-2H-pyrrol-5-one

C8H13NO2 — CID 91373224

IUPAC1-butyl-2-hydroxy-2H-pyrrol-5-one
SMILESCCCCN1C(=O)C=CC1O
InChIInChI=1S/C8H13NO2/c1-2-3-6-9-7(10)4-5-8(9)11/h4-5,7,10H,2-3,6H2,1H3
InChIKeyMTQQCKBWEMPCDV-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.50
Rot. Bonds3

About 1-butyl-2-hydroxy-2H-pyrrol-5-one

1-butyl-2-hydroxy-2H-pyrrol-5-one (PubChem CID 91373224) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-butyl-2-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-butyl-2-hydroxy-2H-pyrrol-5-one
PubChem CID91373224
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-butyl-2-hydroxy-2H-pyrrol-5-one
SMILESCCCCN1C(=O)C=CC1O
InChIInChI=1S/C8H13NO2/c1-2-3-6-9-7(10)4-5-8(9)11/h4-5,7,10H,2-3,6H2,1H3
InChIKeyMTQQCKBWEMPCDV-UHFFFAOYSA-N
XLogP0.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one
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2-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one
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1-heptyl-2-hydroxy-2H-pyrrol-5-one
CID 14479801
(E)-4-[butyl(methyl)amino]-4-oxobut-2-enoic acid
CID 20119435
N-[(E)-1-hydroxybut-2-enyl]-N-(hydroxymethyl)acetamide
CID 23522201
2-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one
CID 44472011
1-(1-Hydroxybutyl)pyrrole-2,5-dione
CID 57172879
1-(1-Hydroxyprop-2-enyl)pyrrole-2,5-dione
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1-ethyl-2-hydroxy-2H-pyrrol-5-one
CID 68342716

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-butyl-2-hydroxy-2H-pyrrol-5-one (CID 91373224) is 1-butyl-2-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-butyl-2-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-butyl-2-hydroxy-2H-pyrrol-5-one is CCCCN1C(=O)C=CC1O.
What is the InChIKey of 1-butyl-2-hydroxy-2H-pyrrol-5-one?
The InChIKey is MTQQCKBWEMPCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-3-6-9-7(10)4-5-8(9)11/h4-5,7,10H,2-3,6H2,1H3.
What are the key properties of 1-butyl-2-hydroxy-2H-pyrrol-5-one?
1-butyl-2-hydroxy-2H-pyrrol-5-one has a molecular weight of 155.20 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 91373224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).