1-[2-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one

C10H19NO2 — CID 170768335

IUPAC1-[2-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(C)CC1COC
InChIInChI=1S/C10H19NO2/c1-4-10(12)11-6-8(2)5-9(11)7-13-3/h8-9H,4-7H2,1-3H3
InChIKeyQCUOEWJCENMOJL-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds3

About 1-[2-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one

1-[2-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one (PubChem CID 170768335) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one
PubChem CID170768335
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-[2-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(C)CC1COC
InChIInChI=1S/C10H19NO2/c1-4-10(12)11-6-8(2)5-9(11)7-13-3/h8-9H,4-7H2,1-3H3
InChIKeyQCUOEWJCENMOJL-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one (CID 170768335) is 1-[2-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one is CCC(=O)N1CC(C)CC1COC.
What is the InChIKey of 1-[2-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one?
The InChIKey is QCUOEWJCENMOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-10(12)11-6-8(2)5-9(11)7-13-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-[2-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one?
1-[2-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 170768335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).