(3R)-1-tert-butyl-3-(methylamino)pyrrolidin-2-one

C9H18N2O — CID 94236113

IUPAC(3R)-1-tert-butyl-3-(methylamino)pyrrolidin-2-one
SMILESCN[C@@H]1CCN(C(C)(C)C)C1=O
InChIInChI=1S/C9H18N2O/c1-9(2,3)11-6-5-7(10-4)8(11)12/h7,10H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyRPKRGEHXCBUQNR-SSDOTTSWSA-N
MW170.26 g/mol
LogP0.61
Rot. Bonds1

About (3R)-1-tert-butyl-3-(methylamino)pyrrolidin-2-one

(3R)-1-tert-butyl-3-(methylamino)pyrrolidin-2-one (PubChem CID 94236113) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (3R)-1-tert-butyl-3-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-tert-butyl-3-(methylamino)pyrrolidin-2-one
PubChem CID94236113
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(3R)-1-tert-butyl-3-(methylamino)pyrrolidin-2-one
SMILESCN[C@@H]1CCN(C(C)(C)C)C1=O
InChIInChI=1S/C9H18N2O/c1-9(2,3)11-6-5-7(10-4)8(11)12/h7,10H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyRPKRGEHXCBUQNR-SSDOTTSWSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-tert-butyl-3-(methylamino)pyrrolidin-2-one?
The IUPAC name of (3R)-1-tert-butyl-3-(methylamino)pyrrolidin-2-one (CID 94236113) is (3R)-1-tert-butyl-3-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-tert-butyl-3-(methylamino)pyrrolidin-2-one?
The canonical SMILES for (3R)-1-tert-butyl-3-(methylamino)pyrrolidin-2-one is CN[C@@H]1CCN(C(C)(C)C)C1=O.
What is the InChIKey of (3R)-1-tert-butyl-3-(methylamino)pyrrolidin-2-one?
The InChIKey is RPKRGEHXCBUQNR-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,3)11-6-5-7(10-4)8(11)12/h7,10H,5-6H2,1-4H3/t7-/m1/s1.
What are the key properties of (3R)-1-tert-butyl-3-(methylamino)pyrrolidin-2-one?
(3R)-1-tert-butyl-3-(methylamino)pyrrolidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tert-butyl-3-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 94236113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).