5-[2-[(2-methylpropan-2-yl)oxymethyl]butyl]pyrrolidin-2-one

C13H25NO2 — CID 58611789

IUPAC5-[2-[(2-methylpropan-2-yl)oxymethyl]butyl]pyrrolidin-2-one
SMILESCCC(COC(C)(C)C)CC1CCC(=O)N1
InChIInChI=1S/C13H25NO2/c1-5-10(9-16-13(2,3)4)8-11-6-7-12(15)14-11/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyODRZXEXLBBFHKY-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds5

About 5-[2-[(2-methylpropan-2-yl)oxymethyl]butyl]pyrrolidin-2-one

5-[2-[(2-methylpropan-2-yl)oxymethyl]butyl]pyrrolidin-2-one (PubChem CID 58611789) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-[2-[(2-methylpropan-2-yl)oxymethyl]butyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-[(2-methylpropan-2-yl)oxymethyl]butyl]pyrrolidin-2-one
PubChem CID58611789
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name5-[2-[(2-methylpropan-2-yl)oxymethyl]butyl]pyrrolidin-2-one
SMILESCCC(COC(C)(C)C)CC1CCC(=O)N1
InChIInChI=1S/C13H25NO2/c1-5-10(9-16-13(2,3)4)8-11-6-7-12(15)14-11/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyODRZXEXLBBFHKY-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxymethyl]butyl]pyrrolidin-2-one?
The IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxymethyl]butyl]pyrrolidin-2-one (CID 58611789) is 5-[2-[(2-methylpropan-2-yl)oxymethyl]butyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[2-[(2-methylpropan-2-yl)oxymethyl]butyl]pyrrolidin-2-one?
The canonical SMILES for 5-[2-[(2-methylpropan-2-yl)oxymethyl]butyl]pyrrolidin-2-one is CCC(COC(C)(C)C)CC1CCC(=O)N1.
What is the InChIKey of 5-[2-[(2-methylpropan-2-yl)oxymethyl]butyl]pyrrolidin-2-one?
The InChIKey is ODRZXEXLBBFHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-10(9-16-13(2,3)4)8-11-6-7-12(15)14-11/h10-11H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 5-[2-[(2-methylpropan-2-yl)oxymethyl]butyl]pyrrolidin-2-one?
5-[2-[(2-methylpropan-2-yl)oxymethyl]butyl]pyrrolidin-2-one has a molecular weight of 227.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-methylpropan-2-yl)oxymethyl]butyl]pyrrolidin-2-one is sourced from PubChem (CID 58611789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).