2-butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one

C8H13NO2 — CID 91618641

IUPAC2-butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one
SMILESCCC(C)C1NC(=O)C=C1O
InChIInChI=1S/C8H13NO2/c1-3-5(2)8-6(10)4-7(11)9-8/h4-5,8,10H,3H2,1-2H3,(H,9,11)
InChIKeyMMRWDZGGNJBUOZ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.97
Rot. Bonds2

About 2-butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one

2-butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one (PubChem CID 91618641) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name2-butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one
PubChem CID91618641
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one
SMILESCCC(C)C1NC(=O)C=C1O
InChIInChI=1S/C8H13NO2/c1-3-5(2)8-6(10)4-7(11)9-8/h4-5,8,10H,3H2,1-2H3,(H,9,11)
InChIKeyMMRWDZGGNJBUOZ-UHFFFAOYSA-N
XLogP0.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

L-Tenuazonic acid
CID 54678599
Tenuazonic Acid
CID 54683011
(R)-3-Acetyl-5-((S)-sec-butyl)-4-hydroxy-1,5-dihydro-2H-pyrrol-2-one
CID 54723289
(2S)-4-acetyl-2-[(2R)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one
CID 54711000
Tenuazonic acid-(acetyl-13C2)
CID 117065360
2-Butan-2-yl-3-hydroxy-5-oxo-1,2-dihydropyrrole-4-carbonitrile
CID 130007873
(2R)-4-acetyl-2-[(2R)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one
CID 54687017
Copper 4-acetyl-2-butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one
CID 54720816
4-Hydroxy-5-isopropyl-1,5-dihydro-pyrrol-2-one
CID 56604111
(2S)-2-tert-butyl-3-hydroxy-1,2-dihydropyrrol-5-one
CID 57434337
(S)-5-isobutyl-4-methoxy-1H-pyrrol-2(5H)-one
CID 58443716
3-Methoxy-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one
CID 58443729

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 2-butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one (CID 91618641) is 2-butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 2-butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 2-butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one is CCC(C)C1NC(=O)C=C1O.
What is the InChIKey of 2-butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one?
The InChIKey is MMRWDZGGNJBUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-5(2)8-6(10)4-7(11)9-8/h4-5,8,10H,3H2,1-2H3,(H,9,11).
What are the key properties of 2-butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one?
2-butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one has a molecular weight of 155.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 91618641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).