3,4,4-trimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one

C15H21NO — CID 70991873

IUPAC3,4,4-trimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
SMILESCC1C(=O)N([C@H](C)c2ccccc2)CC1(C)C
InChIInChI=1S/C15H21NO/c1-11-14(17)16(10-15(11,3)4)12(2)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3/t11?,12-/m1/s1
InChIKeyLAMBBBCNROSXPP-PIJUOVFKSA-N
MW231.34 g/mol
LogP3.25
Rot. Bonds2

About 3,4,4-trimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one

3,4,4-trimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one (PubChem CID 70991873) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3,4,4-trimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3,4,4-trimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
PubChem CID70991873
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3,4,4-trimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
SMILESCC1C(=O)N([C@H](C)c2ccccc2)CC1(C)C
InChIInChI=1S/C15H21NO/c1-11-14(17)16(10-15(11,3)4)12(2)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3/t11?,12-/m1/s1
InChIKeyLAMBBBCNROSXPP-PIJUOVFKSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
The IUPAC name of 3,4,4-trimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one (CID 70991873) is 3,4,4-trimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for 3,4,4-trimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for 3,4,4-trimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one is CC1C(=O)N([C@H](C)c2ccccc2)CC1(C)C.
What is the InChIKey of 3,4,4-trimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
The InChIKey is LAMBBBCNROSXPP-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-14(17)16(10-15(11,3)4)12(2)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3/t11?,12-/m1/s1.
What are the key properties of 3,4,4-trimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
3,4,4-trimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one has a molecular weight of 231.34 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 70991873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).