3-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-one

C10H19NO2 — CID 106460167

IUPAC3-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-one
SMILESCC(C)COCCC1CCNC1=O
InChIInChI=1S/C10H19NO2/c1-8(2)7-13-6-4-9-3-5-11-10(9)12/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyZILNUDWOHUZEKY-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.19
Rot. Bonds5

About 3-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-one

3-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-one (PubChem CID 106460167) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-one
PubChem CID106460167
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-one
SMILESCC(C)COCCC1CCNC1=O
InChIInChI=1S/C10H19NO2/c1-8(2)7-13-6-4-9-3-5-11-10(9)12/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyZILNUDWOHUZEKY-UHFFFAOYSA-N
XLogP1.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-one?
The IUPAC name of 3-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-one (CID 106460167) is 3-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-one?
The canonical SMILES for 3-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-one is CC(C)COCCC1CCNC1=O.
What is the InChIKey of 3-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-one?
The InChIKey is ZILNUDWOHUZEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)7-13-6-4-9-3-5-11-10(9)12/h8-9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 3-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-one?
3-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 106460167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).