4-butyl-1-(2,2-dimethylbutyl)-3-hydroxy-2H-pyrrol-5-one

C14H25NO2 — CID 150151996

IUPAC4-butyl-1-(2,2-dimethylbutyl)-3-hydroxy-2H-pyrrol-5-one
SMILESCCCCC1=C(O)CN(CC(C)(C)CC)C1=O
InChIInChI=1S/C14H25NO2/c1-5-7-8-11-12(16)9-15(13(11)17)10-14(3,4)6-2/h16H,5-10H2,1-4H3
InChIKeyFFLAAIXPIZXXCG-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.27
Rot. Bonds6

About 4-butyl-1-(2,2-dimethylbutyl)-3-hydroxy-2H-pyrrol-5-one

4-butyl-1-(2,2-dimethylbutyl)-3-hydroxy-2H-pyrrol-5-one (PubChem CID 150151996) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-butyl-1-(2,2-dimethylbutyl)-3-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-butyl-1-(2,2-dimethylbutyl)-3-hydroxy-2H-pyrrol-5-one
PubChem CID150151996
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name4-butyl-1-(2,2-dimethylbutyl)-3-hydroxy-2H-pyrrol-5-one
SMILESCCCCC1=C(O)CN(CC(C)(C)CC)C1=O
InChIInChI=1S/C14H25NO2/c1-5-7-8-11-12(16)9-15(13(11)17)10-14(3,4)6-2/h16H,5-10H2,1-4H3
InChIKeyFFLAAIXPIZXXCG-UHFFFAOYSA-N
XLogP3.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butyl-4-hydroxy-1-methylpyrrole-2,5-dione
CID 175140181
1-(2,2-dimethylhexyl)pyrrolidin-2-one
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1-tert-butyl-4-ethyl-3-hydroxy-2H-pyrrol-5-one
CID 139219095
1-(2,2-dimethylbutyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 103465010
1-(2,2-dimethylbutyl)-3-propan-2-ylpiperazine-2,5-dione
CID 103465478
3-hydroxy-2-pentylcyclohex-2-en-1-one
CID 70170609
2-butyl-3-hydroxycyclohexa-2,5-diene-1,4-dione
CID 22392317
3-butyl-5-hydroxy-4-methylcyclohexa-3,5-diene-1,2-dione
CID 177409935
2,3-dibutylcyclohexa-2,5-diene-1,4-dione
CID 18356690
2-butyl-3-hydroxycycloprop-2-en-1-one
CID 59755512
2,3-dibutyl-4,5-dipropylcyclopenta-2,4-dien-1-one
CID 86058900
1-(4,4-dimethylhexyl)pyrrolidin-2-one
CID 138551273

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(2,2-dimethylbutyl)-3-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 4-butyl-1-(2,2-dimethylbutyl)-3-hydroxy-2H-pyrrol-5-one (CID 150151996) is 4-butyl-1-(2,2-dimethylbutyl)-3-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 4-butyl-1-(2,2-dimethylbutyl)-3-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 4-butyl-1-(2,2-dimethylbutyl)-3-hydroxy-2H-pyrrol-5-one is CCCCC1=C(O)CN(CC(C)(C)CC)C1=O.
What is the InChIKey of 4-butyl-1-(2,2-dimethylbutyl)-3-hydroxy-2H-pyrrol-5-one?
The InChIKey is FFLAAIXPIZXXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-7-8-11-12(16)9-15(13(11)17)10-14(3,4)6-2/h16H,5-10H2,1-4H3.
What are the key properties of 4-butyl-1-(2,2-dimethylbutyl)-3-hydroxy-2H-pyrrol-5-one?
4-butyl-1-(2,2-dimethylbutyl)-3-hydroxy-2H-pyrrol-5-one has a molecular weight of 239.36 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(2,2-dimethylbutyl)-3-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 150151996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).