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

C10H18N2O3 — CID 168699125

IUPAC4-amino-1-(2,2-dimethyl-1,3-dioxan-5-yl)pyrrolidin-2-one
SMILESCC1(C)OCC(N2CC(N)CC2=O)CO1
InChIInChI=1S/C10H18N2O3/c1-10(2)14-5-8(6-15-10)12-4-7(11)3-9(12)13/h7-8H,3-6,11H2,1-2H3
InChIKeyNDICZGSUQBAZRF-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.30
Rot. Bonds1

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

4-amino-1-(2,2-dimethyl-1,3-dioxan-5-yl)pyrrolidin-2-one (PubChem CID 168699125) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-amino-1-(2,2-dimethyl-1,3-dioxan-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2,2-dimethyl-1,3-dioxan-5-yl)pyrrolidin-2-one
PubChem CID168699125
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name4-amino-1-(2,2-dimethyl-1,3-dioxan-5-yl)pyrrolidin-2-one
SMILESCC1(C)OCC(N2CC(N)CC2=O)CO1
InChIInChI=1S/C10H18N2O3/c1-10(2)14-5-8(6-15-10)12-4-7(11)3-9(12)13/h7-8H,3-6,11H2,1-2H3
InChIKeyNDICZGSUQBAZRF-UHFFFAOYSA-N
XLogP-0.30
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,2-dimethyl-1,3-dioxan-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(2,2-dimethyl-1,3-dioxan-5-yl)pyrrolidin-2-one (CID 168699125) is 4-amino-1-(2,2-dimethyl-1,3-dioxan-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(2,2-dimethyl-1,3-dioxan-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(2,2-dimethyl-1,3-dioxan-5-yl)pyrrolidin-2-one is CC1(C)OCC(N2CC(N)CC2=O)CO1.
What is the InChIKey of 4-amino-1-(2,2-dimethyl-1,3-dioxan-5-yl)pyrrolidin-2-one?
The InChIKey is NDICZGSUQBAZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2)14-5-8(6-15-10)12-4-7(11)3-9(12)13/h7-8H,3-6,11H2,1-2H3.
What are the key properties of 4-amino-1-(2,2-dimethyl-1,3-dioxan-5-yl)pyrrolidin-2-one?
4-amino-1-(2,2-dimethyl-1,3-dioxan-5-yl)pyrrolidin-2-one has a molecular weight of 214.26 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,2-dimethyl-1,3-dioxan-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168699125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).