1-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]pyrrolidin-2-one

C12H24N2O2 — CID 81411750

IUPAC1-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCC(C)(C)CO
InChIInChI=1S/C12H24N2O2/c1-10(13-8-12(2,3)9-15)7-14-6-4-5-11(14)16/h10,13,15H,4-9H2,1-3H3
InChIKeyONWZDVZGYSGWEU-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.61
Rot. Bonds6

About 1-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]pyrrolidin-2-one

1-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]pyrrolidin-2-one (PubChem CID 81411750) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]pyrrolidin-2-one
PubChem CID81411750
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCC(C)(C)CO
InChIInChI=1S/C12H24N2O2/c1-10(13-8-12(2,3)9-15)7-14-6-4-5-11(14)16/h10,13,15H,4-9H2,1-3H3
InChIKeyONWZDVZGYSGWEU-UHFFFAOYSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]pyrrolidin-2-one
CID 81418600
1-[2-(2,2-dimethoxyethylamino)propyl]pyrrolidin-2-one
CID 63696542
tert-butyl N-[2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]carbamate
CID 115607353
1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one
CID 54865922
1-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]pyrrolidin-2-one
CID 116534604
tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 63789574
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957992
1-[2-[(3-methoxy-3-methylbutan-2-yl)amino]propyl]pyrrolidin-2-one
CID 114228203
1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one
CID 104550322
1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60936524
1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one
CID 62758526
1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 66399198

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]pyrrolidin-2-one (CID 81411750) is 1-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)NCC(C)(C)CO.
What is the InChIKey of 1-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]pyrrolidin-2-one?
The InChIKey is ONWZDVZGYSGWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(13-8-12(2,3)9-15)7-14-6-4-5-11(14)16/h10,13,15H,4-9H2,1-3H3.
What are the key properties of 1-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]pyrrolidin-2-one?
1-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]pyrrolidin-2-one has a molecular weight of 228.34 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 81411750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).