1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone

C8H16N2O2 — CID 83628524

IUPAC1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC(OC)C1
InChIInChI=1S/C8H16N2O2/c1-9-5-8(11)10-4-3-7(6-10)12-2/h7,9H,3-6H2,1-2H3
InChIKeyXFOOYDLHQMKKEH-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.55
Rot. Bonds3

About 1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone

1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone (PubChem CID 83628524) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone
PubChem CID83628524
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC(OC)C1
InChIInChI=1S/C8H16N2O2/c1-9-5-8(11)10-4-3-7(6-10)12-2/h7,9H,3-6H2,1-2H3
InChIKeyXFOOYDLHQMKKEH-UHFFFAOYSA-N
XLogP-0.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone
CID 103809291
2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride
CID 119791443
2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone
CID 119789471
2-(2-methoxyethylamino)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103532856
2-chloro-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564435
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione
CID 103533267
4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 103540685
(3R)-3-methoxy-N-methylpyrrolidine-1-carboxamide
CID 130636410
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone
CID 129494766
1-(3-fluoropyrrolidin-1-yl)-2-(methylamino)ethanone
CID 121200892
methyl (3R)-3-methoxypyrrolidine-1-carboxylate
CID 123673110

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone (CID 83628524) is 1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone is CNCC(=O)N1CCC(OC)C1.
What is the InChIKey of 1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone?
The InChIKey is XFOOYDLHQMKKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-5-8(11)10-4-3-7(6-10)12-2/h7,9H,3-6H2,1-2H3.
What are the key properties of 1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone?
1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone has a molecular weight of 172.23 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 83628524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).