3-(1,3-dioxan-4-ylmethylamino)-1-methylpyrrolidin-2-one

C10H18N2O3 — CID 106257213

IUPAC3-(1,3-dioxan-4-ylmethylamino)-1-methylpyrrolidin-2-one
SMILESCN1CCC(NCC2CCOCO2)C1=O
InChIInChI=1S/C10H18N2O3/c1-12-4-2-9(10(12)13)11-6-8-3-5-14-7-15-8/h8-9,11H,2-7H2,1H3
InChIKeyUFKXOOJRAFWHCD-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.43
Rot. Bonds3

About 3-(1,3-dioxan-4-ylmethylamino)-1-methylpyrrolidin-2-one

3-(1,3-dioxan-4-ylmethylamino)-1-methylpyrrolidin-2-one (PubChem CID 106257213) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-(1,3-dioxan-4-ylmethylamino)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(1,3-dioxan-4-ylmethylamino)-1-methylpyrrolidin-2-one
PubChem CID106257213
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-(1,3-dioxan-4-ylmethylamino)-1-methylpyrrolidin-2-one
SMILESCN1CCC(NCC2CCOCO2)C1=O
InChIInChI=1S/C10H18N2O3/c1-12-4-2-9(10(12)13)11-6-8-3-5-14-7-15-8/h8-9,11H,2-7H2,1H3
InChIKeyUFKXOOJRAFWHCD-UHFFFAOYSA-N
XLogP-0.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-hydroxycyclohexyl)methylamino]-1-methylpyrrolidin-2-one
CID 106133454
1-methyl-3-(piperidin-2-ylmethylamino)pyrrolidin-2-one
CID 106252871
1-methyl-3-[(3-methylcyclopentyl)methylamino]pyrrolidin-2-one
CID 107412677
N-(1,3-dioxan-4-ylmethyl)-4-methylpiperazin-1-amine
CID 83021019
1-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one
CID 106257211
N-(1,3-dioxan-4-ylmethyl)-2,2-dimethylcyclopropan-1-amine
CID 81101804
(3S)-1-methyl-3-(methylamino)pyrrolidin-2-one
CID 94236128
3-[[(E)-but-2-enyl]amino]-1-methylpyrrolidin-2-one
CID 106256623
N-(1,3-dioxan-4-ylmethyl)-2,3-dimethylcyclopentan-1-amine
CID 81102186
N-(1,3-dioxan-4-ylmethyl)propan-2-amine
CID 81100823
2-(1,3-dioxan-4-ylmethyl)-1,1-dimethylhydrazine
CID 83015082
1-methyl-3-(2-methylidenebutylamino)pyrrolidin-2-one
CID 106256749

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxan-4-ylmethylamino)-1-methylpyrrolidin-2-one?
The IUPAC name of 3-(1,3-dioxan-4-ylmethylamino)-1-methylpyrrolidin-2-one (CID 106257213) is 3-(1,3-dioxan-4-ylmethylamino)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-(1,3-dioxan-4-ylmethylamino)-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-(1,3-dioxan-4-ylmethylamino)-1-methylpyrrolidin-2-one is CN1CCC(NCC2CCOCO2)C1=O.
What is the InChIKey of 3-(1,3-dioxan-4-ylmethylamino)-1-methylpyrrolidin-2-one?
The InChIKey is UFKXOOJRAFWHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-12-4-2-9(10(12)13)11-6-8-3-5-14-7-15-8/h8-9,11H,2-7H2,1H3.
What are the key properties of 3-(1,3-dioxan-4-ylmethylamino)-1-methylpyrrolidin-2-one?
3-(1,3-dioxan-4-ylmethylamino)-1-methylpyrrolidin-2-one has a molecular weight of 214.26 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxan-4-ylmethylamino)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106257213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).