3-(methylamino)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one

C14H20N2O2 — CID 54973368

IUPAC3-(methylamino)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
SMILESCNC1CCN(c2ccc(OC(C)C)cc2)C1=O
InChIInChI=1S/C14H20N2O2/c1-10(2)18-12-6-4-11(5-7-12)16-9-8-13(15-3)14(16)17/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyUBKZVUNHQLHNAX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.80
Rot. Bonds4

About 3-(methylamino)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one

3-(methylamino)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one (PubChem CID 54973368) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(methylamino)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
PubChem CID54973368
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(methylamino)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
SMILESCNC1CCN(c2ccc(OC(C)C)cc2)C1=O
InChIInChI=1S/C14H20N2O2/c1-10(2)18-12-6-4-11(5-7-12)16-9-8-13(15-3)14(16)17/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyUBKZVUNHQLHNAX-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
The IUPAC name of 3-(methylamino)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one (CID 54973368) is 3-(methylamino)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(methylamino)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 3-(methylamino)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one is CNC1CCN(c2ccc(OC(C)C)cc2)C1=O.
What is the InChIKey of 3-(methylamino)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
The InChIKey is UBKZVUNHQLHNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)18-12-6-4-11(5-7-12)16-9-8-13(15-3)14(16)17/h4-7,10,13,15H,8-9H2,1-3H3.
What are the key properties of 3-(methylamino)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
3-(methylamino)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 54973368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).