4-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one

C14H27NO2 — CID 59565921

IUPAC4-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CCCC1COC(C)C
InChIInChI=1S/C14H27NO2/c1-11(2)7-8-14(16)15-9-5-6-13(15)10-17-12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyWIKOKSKUFFDJPK-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.84
Rot. Bonds6

About 4-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one

4-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one (PubChem CID 59565921) has the molecular formula C14H27NO2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one
PubChem CID59565921
Molecular FormulaC14H27NO2
Molecular Weight241.38 g/mol
Exact Mass241.20
IUPAC Name4-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CCCC1COC(C)C
InChIInChI=1S/C14H27NO2/c1-11(2)7-8-14(16)15-9-5-6-13(15)10-17-12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyWIKOKSKUFFDJPK-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one?
The IUPAC name of 4-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one (CID 59565921) is 4-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one.
What is the SMILES notation for 4-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one?
The canonical SMILES for 4-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one is CC(C)CCC(=O)N1CCCC1COC(C)C.
What is the InChIKey of 4-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one?
The InChIKey is WIKOKSKUFFDJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)7-8-14(16)15-9-5-6-13(15)10-17-12(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of 4-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one?
4-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one has a molecular weight of 241.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one is sourced from PubChem (CID 59565921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).