1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone

C10H19NO2 — CID 21061545

IUPAC1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(OC(C)(C)C)C1
InChIInChI=1S/C10H19NO2/c1-8(12)11-6-5-9(7-11)13-10(2,3)4/h9H,5-7H2,1-4H3
InChIKeyVSJRDDUDZISPOS-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.42
Rot. Bonds1

About 1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone

1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone (PubChem CID 21061545) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone
PubChem CID21061545
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(OC(C)(C)C)C1
InChIInChI=1S/C10H19NO2/c1-8(12)11-6-5-9(7-11)13-10(2,3)4/h9H,5-7H2,1-4H3
InChIKeyVSJRDDUDZISPOS-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone (CID 21061545) is 1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(OC(C)(C)C)C1.
What is the InChIKey of 1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone?
The InChIKey is VSJRDDUDZISPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(12)11-6-5-9(7-11)13-10(2,3)4/h9H,5-7H2,1-4H3.
What are the key properties of 1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone?
1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone has a molecular weight of 185.27 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 21061545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).