1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidin-2-one

C11H21NO2 — CID 67806115

IUPAC1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidin-2-one
SMILESCC(C)OCC1CCN(C(C)C)C1=O
InChIInChI=1S/C11H21NO2/c1-8(2)12-6-5-10(11(12)13)7-14-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyDAANPLALSGTXJL-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds4

About 1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidin-2-one

1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidin-2-one (PubChem CID 67806115) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidin-2-one
PubChem CID67806115
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidin-2-one
SMILESCC(C)OCC1CCN(C(C)C)C1=O
InChIInChI=1S/C11H21NO2/c1-8(2)12-6-5-10(11(12)13)7-14-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyDAANPLALSGTXJL-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidin-2-one (CID 67806115) is 1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidin-2-one is CC(C)OCC1CCN(C(C)C)C1=O.
What is the InChIKey of 1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidin-2-one?
The InChIKey is DAANPLALSGTXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)12-6-5-10(11(12)13)7-14-9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidin-2-one?
1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidin-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 67806115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).