4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]pyrrolidin-2-one

C10H18N2O3 — CID 106184706

IUPAC4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]pyrrolidin-2-one
SMILESCC1(C)OCC(NC2CNC(=O)C2)CO1
InChIInChI=1S/C10H18N2O3/c1-10(2)14-5-8(6-15-10)12-7-3-9(13)11-4-7/h7-8,12H,3-6H2,1-2H3,(H,11,13)
InChIKeyBRYMEEYKXVXBHH-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.38
Rot. Bonds2

About 4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]pyrrolidin-2-one

4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]pyrrolidin-2-one (PubChem CID 106184706) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]pyrrolidin-2-one
PubChem CID106184706
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]pyrrolidin-2-one
SMILESCC1(C)OCC(NC2CNC(=O)C2)CO1
InChIInChI=1S/C10H18N2O3/c1-10(2)14-5-8(6-15-10)12-7-3-9(13)11-4-7/h7-8,12H,3-6H2,1-2H3,(H,11,13)
InChIKeyBRYMEEYKXVXBHH-UHFFFAOYSA-N
XLogP-0.38
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]pyrrolidin-2-one (CID 106184706) is 4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]pyrrolidin-2-one is CC1(C)OCC(NC2CNC(=O)C2)CO1.
What is the InChIKey of 4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]pyrrolidin-2-one?
The InChIKey is BRYMEEYKXVXBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2)14-5-8(6-15-10)12-7-3-9(13)11-4-7/h7-8,12H,3-6H2,1-2H3,(H,11,13).
What are the key properties of 4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]pyrrolidin-2-one?
4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]pyrrolidin-2-one has a molecular weight of 214.26 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106184706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).