(3S)-3,5,5-trimethyl-3-propan-2-ylpyrrolidin-2-one

C10H19NO — CID 165387418

IUPAC(3S)-3,5,5-trimethyl-3-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@]1(C)CC(C)(C)NC1=O
InChIInChI=1S/C10H19NO/c1-7(2)10(5)6-9(3,4)11-8(10)12/h7H,6H2,1-5H3,(H,11,12)/t10-/m0/s1
InChIKeySKNRLHSZUTYCSR-JTQLQIEISA-N
MW169.27 g/mol
LogP1.95
Rot. Bonds1

About (3S)-3,5,5-trimethyl-3-propan-2-ylpyrrolidin-2-one

(3S)-3,5,5-trimethyl-3-propan-2-ylpyrrolidin-2-one (PubChem CID 165387418) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3S)-3,5,5-trimethyl-3-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3,5,5-trimethyl-3-propan-2-ylpyrrolidin-2-one
PubChem CID165387418
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3S)-3,5,5-trimethyl-3-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@]1(C)CC(C)(C)NC1=O
InChIInChI=1S/C10H19NO/c1-7(2)10(5)6-9(3,4)11-8(10)12/h7H,6H2,1-5H3,(H,11,12)/t10-/m0/s1
InChIKeySKNRLHSZUTYCSR-JTQLQIEISA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3,5,5-trimethyl-3-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (3S)-3,5,5-trimethyl-3-propan-2-ylpyrrolidin-2-one (CID 165387418) is (3S)-3,5,5-trimethyl-3-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3,5,5-trimethyl-3-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (3S)-3,5,5-trimethyl-3-propan-2-ylpyrrolidin-2-one is CC(C)[C@]1(C)CC(C)(C)NC1=O.
What is the InChIKey of (3S)-3,5,5-trimethyl-3-propan-2-ylpyrrolidin-2-one?
The InChIKey is SKNRLHSZUTYCSR-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)10(5)6-9(3,4)11-8(10)12/h7H,6H2,1-5H3,(H,11,12)/t10-/m0/s1.
What are the key properties of (3S)-3,5,5-trimethyl-3-propan-2-ylpyrrolidin-2-one?
(3S)-3,5,5-trimethyl-3-propan-2-ylpyrrolidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,5,5-trimethyl-3-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 165387418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).