1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one

C9H17NO2 — CID 104550322

IUPAC1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one
SMILESCC(CCO)CN1CCCC1=O
InChIInChI=1S/C9H17NO2/c1-8(4-6-11)7-10-5-2-3-9(10)12/h8,11H,2-7H2,1H3
InChIKeyCHZYLQTYXIZMBG-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.63
Rot. Bonds4

About 1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one

1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one (PubChem CID 104550322) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one
PubChem CID104550322
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one
SMILESCC(CCO)CN1CCCC1=O
InChIInChI=1S/C9H17NO2/c1-8(4-6-11)7-10-5-2-3-9(10)12/h8,11H,2-7H2,1H3
InChIKeyCHZYLQTYXIZMBG-UHFFFAOYSA-N
XLogP0.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-hydroxyethyl)pentyl]pyrrolidin-2-one
CID 106116958
1-(4-hydroxy-2-methylbutyl)piperidine-2,6-dione
CID 66107801
1-(5-hydroxy-4-methylpentyl)pyrrolidin-2-one
CID 106159349
1-(3-amino-2-methylpropyl)piperidin-2-one
CID 43367864
3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid
CID 79006816
3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid
CID 65220431
1-(3-methyl-2-sulfanylbutyl)pyrrolidin-2-one
CID 141416665
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
1-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]pyrrolidin-2-one
CID 81418600
1-ethylpyrrolidin-2-one;propane-1,2-diol
CID 69270275
1-(5-hydroxy-4-methylpentyl)piperidin-2-one
CID 106159311
arsane;1-(2-hydroxyethyl)pyrrolidin-2-one
CID 174911308

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one (CID 104550322) is 1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one is CC(CCO)CN1CCCC1=O.
What is the InChIKey of 1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one?
The InChIKey is CHZYLQTYXIZMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(4-6-11)7-10-5-2-3-9(10)12/h8,11H,2-7H2,1H3.
What are the key properties of 1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one?
1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one is sourced from PubChem (CID 104550322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).