1-(1-hydroperoxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one

C10H20N2O3 — CID 59190000

IUPAC1-(1-hydroperoxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(C(COO)C(C)C)C1=O
InChIInChI=1S/C10H20N2O3/c1-7(2)9(6-15-14)12-5-4-8(11-3)10(12)13/h7-9,11,14H,4-6H2,1-3H3
InChIKeyQLHAXDHBHKIQLV-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.32
Rot. Bonds5

About 1-(1-hydroperoxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one

1-(1-hydroperoxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one (PubChem CID 59190000) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(1-hydroperoxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-hydroperoxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one
PubChem CID59190000
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name1-(1-hydroperoxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(C(COO)C(C)C)C1=O
InChIInChI=1S/C10H20N2O3/c1-7(2)9(6-15-14)12-5-4-8(11-3)10(12)13/h7-9,11,14H,4-6H2,1-3H3
InChIKeyQLHAXDHBHKIQLV-UHFFFAOYSA-N
XLogP0.32
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 15130907
N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide
CID 20693319
N'-(2-hydroxyethyl)-2-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanediamide
CID 20695619
2-[4-(Aminomethyl)-2-oxopyrrolidin-1-yl]butanamide
CID 22387050
N-[(1-formylpyrrolidin-3-yl)methyl]-2-(methylamino)propanamide
CID 54072244
H-Val-Pro-Val-ol
CID 54544632
(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one
CID 58177864
3-(Methylamino)-1-(2-methylpropyl)pyrrolidin-2-one
CID 58298377
(3S,4S)-4-methyl-3-(methylamino)-1-(3-oxobutan-2-yl)pyrrolidin-2-one
CID 59104968
3-(Methylamino)-1-(3-methylbutan-2-yl)pyrrolidin-2-one
CID 59190045
Carbanide;1-(1-methanidyloxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one;yttrium
CID 59190057
(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one
CID 59879188

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroperoxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one?
The IUPAC name of 1-(1-hydroperoxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one (CID 59190000) is 1-(1-hydroperoxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-hydroperoxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(1-hydroperoxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one is CNC1CCN(C(COO)C(C)C)C1=O.
What is the InChIKey of 1-(1-hydroperoxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one?
The InChIKey is QLHAXDHBHKIQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)9(6-15-14)12-5-4-8(11-3)10(12)13/h7-9,11,14H,4-6H2,1-3H3.
What are the key properties of 1-(1-hydroperoxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one?
1-(1-hydroperoxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one has a molecular weight of 216.28 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroperoxy-3-methylbutan-2-yl)-3-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 59190000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).