(3R)-3-tert-butyl-1-methylpyrrolidin-2-one

C9H17NO — CID 155363836

IUPAC(3R)-3-tert-butyl-1-methylpyrrolidin-2-one
SMILESCN1CC[C@H](C(C)(C)C)C1=O
InChIInChI=1S/C9H17NO/c1-9(2,3)7-5-6-10(4)8(7)11/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyNAIFGCTUCVAGAG-ZETCQYMHSA-N
MW155.24 g/mol
LogP1.51
Rot. Bonds

About (3R)-3-tert-butyl-1-methylpyrrolidin-2-one

(3R)-3-tert-butyl-1-methylpyrrolidin-2-one (PubChem CID 155363836) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (3R)-3-tert-butyl-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-tert-butyl-1-methylpyrrolidin-2-one
PubChem CID155363836
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(3R)-3-tert-butyl-1-methylpyrrolidin-2-one
SMILESCN1CC[C@H](C(C)(C)C)C1=O
InChIInChI=1S/C9H17NO/c1-9(2,3)7-5-6-10(4)8(7)11/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyNAIFGCTUCVAGAG-ZETCQYMHSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-tert-butyl-1-methylpyrrolidin-2-one?
The IUPAC name of (3R)-3-tert-butyl-1-methylpyrrolidin-2-one (CID 155363836) is (3R)-3-tert-butyl-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-tert-butyl-1-methylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-tert-butyl-1-methylpyrrolidin-2-one is CN1CC[C@H](C(C)(C)C)C1=O.
What is the InChIKey of (3R)-3-tert-butyl-1-methylpyrrolidin-2-one?
The InChIKey is NAIFGCTUCVAGAG-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(2,3)7-5-6-10(4)8(7)11/h7H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of (3R)-3-tert-butyl-1-methylpyrrolidin-2-one?
(3R)-3-tert-butyl-1-methylpyrrolidin-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-tert-butyl-1-methylpyrrolidin-2-one is sourced from PubChem (CID 155363836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).