ethane;2-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone

C15H29NO2 — CID 176663614

IUPACethane;2-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
SMILESCC.CC(C)C1CCN(C(=O)CC2CCCO2)C1
InChIInChI=1S/C13H23NO2.C2H6/c1-10(2)11-5-6-14(9-11)13(15)8-12-4-3-7-16-12;1-2/h10-12H,3-9H2,1-2H3;1-2H3
InChIKeyKWSBGDBPYQONAW-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.09
Rot. Bonds3

About ethane;2-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone

ethane;2-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 176663614) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is ethane;2-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Nameethane;2-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
PubChem CID176663614
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameethane;2-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
SMILESCC.CC(C)C1CCN(C(=O)CC2CCCO2)C1
InChIInChI=1S/C13H23NO2.C2H6/c1-10(2)11-5-6-14(9-11)13(15)8-12-4-3-7-16-12;1-2/h10-12H,3-9H2,1-2H3;1-2H3
InChIKeyKWSBGDBPYQONAW-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of ethane;2-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone (CID 176663614) is ethane;2-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for ethane;2-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for ethane;2-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone is CC.CC(C)C1CCN(C(=O)CC2CCCO2)C1.
What is the InChIKey of ethane;2-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is KWSBGDBPYQONAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2.C2H6/c1-10(2)11-5-6-14(9-11)13(15)8-12-4-3-7-16-12;1-2/h10-12H,3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
ethane;2-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 255.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 176663614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).