1-(5-hydroxyhexyl)-4-methylpyrrolidin-2-one

C11H21NO2 — CID 63101369

IUPAC1-(5-hydroxyhexyl)-4-methylpyrrolidin-2-one
SMILESCC(O)CCCCN1CC(C)CC1=O
InChIInChI=1S/C11H21NO2/c1-9-7-11(14)12(8-9)6-4-3-5-10(2)13/h9-10,13H,3-8H2,1-2H3
InChIKeyCDRVUHLWAHXUHO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.41
Rot. Bonds5

About 1-(5-hydroxyhexyl)-4-methylpyrrolidin-2-one

1-(5-hydroxyhexyl)-4-methylpyrrolidin-2-one (PubChem CID 63101369) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(5-hydroxyhexyl)-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-hydroxyhexyl)-4-methylpyrrolidin-2-one
PubChem CID63101369
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(5-hydroxyhexyl)-4-methylpyrrolidin-2-one
SMILESCC(O)CCCCN1CC(C)CC1=O
InChIInChI=1S/C11H21NO2/c1-9-7-11(14)12(8-9)6-4-3-5-10(2)13/h9-10,13H,3-8H2,1-2H3
InChIKeyCDRVUHLWAHXUHO-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromobutyl)-4-methylpyrrolidin-2-one
CID 63103884
4-methyl-1-(9-sulfanylnonyl)pyrrolidin-2-one
CID 105344613
1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 63100627
(4R)-1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 170372384
ethane;4-methyl-1-(3-oxobutyl)pyrrolidin-2-one
CID 168988048
1-(5-hydroxyhexyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 79181459
4-methyl-1-(4-oxo-4-phenylbutyl)pyrrolidin-2-one
CID 63102458
2,2-dimethyl-6-(4-methyl-2-oxopyrrolidin-1-yl)hexanenitrile
CID 106710243
4-methyl-1-(2-oxopropyl)pyrrolidin-2-one
CID 63100384
1-(2-methoxyethyl)-4-methylpyrrolidin-2-one
CID 89120787
1-(2-hydroxybutyl)-4-methylpyrrolidin-2-one
CID 63100793
4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidin-2-one
CID 63102108

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxyhexyl)-4-methylpyrrolidin-2-one?
The IUPAC name of 1-(5-hydroxyhexyl)-4-methylpyrrolidin-2-one (CID 63101369) is 1-(5-hydroxyhexyl)-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(5-hydroxyhexyl)-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-(5-hydroxyhexyl)-4-methylpyrrolidin-2-one is CC(O)CCCCN1CC(C)CC1=O.
What is the InChIKey of 1-(5-hydroxyhexyl)-4-methylpyrrolidin-2-one?
The InChIKey is CDRVUHLWAHXUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9-7-11(14)12(8-9)6-4-3-5-10(2)13/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 1-(5-hydroxyhexyl)-4-methylpyrrolidin-2-one?
1-(5-hydroxyhexyl)-4-methylpyrrolidin-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxyhexyl)-4-methylpyrrolidin-2-one is sourced from PubChem (CID 63101369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).