1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone

C10H19NO2 — CID 112695655

IUPAC1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCCC1C
InChIInChI=1S/C10H19NO2/c1-8(2)13-7-10(12)11-6-4-5-9(11)3/h8-9H,4-7H2,1-3H3
InChIKeyWSNBUBLANAIYNG-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.42
Rot. Bonds3

About 1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone

1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone (PubChem CID 112695655) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone
PubChem CID112695655
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCCC1C
InChIInChI=1S/C10H19NO2/c1-8(2)13-7-10(12)11-6-4-5-9(11)3/h8-9H,4-7H2,1-3H3
InChIKeyWSNBUBLANAIYNG-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone (CID 112695655) is 1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)N1CCCC1C.
What is the InChIKey of 1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone?
The InChIKey is WSNBUBLANAIYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)13-7-10(12)11-6-4-5-9(11)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone?
1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone has a molecular weight of 185.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 112695655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).