2-hydroxy-1-(2-methylpropyl)-2H-pyrrol-5-one

C8H13NO2 — CID 126552463

IUPAC2-hydroxy-1-(2-methylpropyl)-2H-pyrrol-5-one
SMILESCC(C)CN1C(=O)C=CC1O
InChIInChI=1S/C8H13NO2/c1-6(2)5-9-7(10)3-4-8(9)11/h3-4,6-7,10H,5H2,1-2H3
InChIKeyTWOJTDCKLYKVTA-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.36
Rot. Bonds2

About 2-hydroxy-1-(2-methylpropyl)-2H-pyrrol-5-one

2-hydroxy-1-(2-methylpropyl)-2H-pyrrol-5-one (PubChem CID 126552463) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-hydroxy-1-(2-methylpropyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-1-(2-methylpropyl)-2H-pyrrol-5-one
PubChem CID126552463
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-hydroxy-1-(2-methylpropyl)-2H-pyrrol-5-one
SMILESCC(C)CN1C(=O)C=CC1O
InChIInChI=1S/C8H13NO2/c1-6(2)5-9-7(10)3-4-8(9)11/h3-4,6-7,10H,5H2,1-2H3
InChIKeyTWOJTDCKLYKVTA-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-2-hydroxy-2H-pyrrol-5-one
CID 10898807
2-hydroxy-1-methyl-2H-pyrrol-5-one
CID 12119960
1-tert-butyl-2-hydroxy-2H-pyrrol-5-one
CID 12229405
2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one
CID 10942654
2-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one
CID 12119959
2-hydroxy-4-methyl-5-oxo-2H-pyrrole-1-carbaldehyde
CID 13250058
1-heptyl-2-hydroxy-2H-pyrrol-5-one
CID 14479801
(E)-4-[methyl(2-methylpropyl)amino]-4-oxobut-2-enoic acid
CID 43271875
2-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one
CID 44472011
1-(3-Hydroxy-2-methylpropyl)pyrrole-2,5-dione
CID 65036198
1-ethyl-2-hydroxy-2H-pyrrol-5-one
CID 68342716
1-(1-hydroxyprop-2-enyl)-2H-pyrrol-5-one
CID 69775072

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-methylpropyl)-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-1-(2-methylpropyl)-2H-pyrrol-5-one (CID 126552463) is 2-hydroxy-1-(2-methylpropyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-1-(2-methylpropyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-1-(2-methylpropyl)-2H-pyrrol-5-one is CC(C)CN1C(=O)C=CC1O.
What is the InChIKey of 2-hydroxy-1-(2-methylpropyl)-2H-pyrrol-5-one?
The InChIKey is TWOJTDCKLYKVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(2)5-9-7(10)3-4-8(9)11/h3-4,6-7,10H,5H2,1-2H3.
What are the key properties of 2-hydroxy-1-(2-methylpropyl)-2H-pyrrol-5-one?
2-hydroxy-1-(2-methylpropyl)-2H-pyrrol-5-one has a molecular weight of 155.20 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-methylpropyl)-2H-pyrrol-5-one is sourced from PubChem (CID 126552463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).