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

C14H27NO2 — CID 20627186

IUPAC5-[2-[(2-methylpropan-2-yl)oxymethyl]pentyl]pyrrolidin-2-one
SMILESCCCC(COC(C)(C)C)CC1CCC(=O)N1
InChIInChI=1S/C14H27NO2/c1-5-6-11(10-17-14(2,3)4)9-12-7-8-13(16)15-12/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKeyVVONZORROCSDOF-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.89
Rot. Bonds6

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

5-[2-[(2-methylpropan-2-yl)oxymethyl]pentyl]pyrrolidin-2-one (PubChem CID 20627186) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 5-[2-[(2-methylpropan-2-yl)oxymethyl]pentyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-[(2-methylpropan-2-yl)oxymethyl]pentyl]pyrrolidin-2-one
PubChem CID20627186
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name5-[2-[(2-methylpropan-2-yl)oxymethyl]pentyl]pyrrolidin-2-one
SMILESCCCC(COC(C)(C)C)CC1CCC(=O)N1
InChIInChI=1S/C14H27NO2/c1-5-6-11(10-17-14(2,3)4)9-12-7-8-13(16)15-12/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKeyVVONZORROCSDOF-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.89
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]pentyl]pyrrolidin-2-one?
The IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxymethyl]pentyl]pyrrolidin-2-one (CID 20627186) is 5-[2-[(2-methylpropan-2-yl)oxymethyl]pentyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[2-[(2-methylpropan-2-yl)oxymethyl]pentyl]pyrrolidin-2-one?
The canonical SMILES for 5-[2-[(2-methylpropan-2-yl)oxymethyl]pentyl]pyrrolidin-2-one is CCCC(COC(C)(C)C)CC1CCC(=O)N1.
What is the InChIKey of 5-[2-[(2-methylpropan-2-yl)oxymethyl]pentyl]pyrrolidin-2-one?
The InChIKey is VVONZORROCSDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-6-11(10-17-14(2,3)4)9-12-7-8-13(16)15-12/h11-12H,5-10H2,1-4H3,(H,15,16).
What are the key properties of 5-[2-[(2-methylpropan-2-yl)oxymethyl]pentyl]pyrrolidin-2-one?
5-[2-[(2-methylpropan-2-yl)oxymethyl]pentyl]pyrrolidin-2-one has a molecular weight of 241.37 g/mol, XLogP of 2.89, 6 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]pentyl]pyrrolidin-2-one is sourced from PubChem (CID 20627186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).