1-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)pyrrolidin-2-one

C12H22N2O — CID 170740192

IUPAC1-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)pyrrolidin-2-one
SMILESCC(C)N1CCCC1C1CCC(=O)N1C
InChIInChI=1S/C12H22N2O/c1-9(2)14-8-4-5-11(14)10-6-7-12(15)13(10)3/h9-11H,4-8H2,1-3H3
InChIKeyLWFOCJPGIUSBFU-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.48
Rot. Bonds2

About 1-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)pyrrolidin-2-one

1-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)pyrrolidin-2-one (PubChem CID 170740192) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)pyrrolidin-2-one
PubChem CID170740192
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)pyrrolidin-2-one
SMILESCC(C)N1CCCC1C1CCC(=O)N1C
InChIInChI=1S/C12H22N2O/c1-9(2)14-8-4-5-11(14)10-6-7-12(15)13(10)3/h9-11H,4-8H2,1-3H3
InChIKeyLWFOCJPGIUSBFU-UHFFFAOYSA-N
XLogP1.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)pyrrolidin-2-one (CID 170740192) is 1-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)pyrrolidin-2-one is CC(C)N1CCCC1C1CCC(=O)N1C.
What is the InChIKey of 1-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)pyrrolidin-2-one?
The InChIKey is LWFOCJPGIUSBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)14-8-4-5-11(14)10-6-7-12(15)13(10)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)pyrrolidin-2-one?
1-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)pyrrolidin-2-one has a molecular weight of 210.32 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 170740192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).