(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one

C10H19NO — CID 59706724

IUPAC(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one
SMILESCC(C)[C@H]1CNC(=O)[C@H]1C(C)C
InChIInChI=1S/C10H19NO/c1-6(2)8-5-11-10(12)9(8)7(3)4/h6-9H,5H2,1-4H3,(H,11,12)/t8-,9+/m1/s1
InChIKeyIJFJACZQFPFVDF-BDAKNGLRSA-N
MW169.27 g/mol
LogP1.66
Rot. Bonds2

About (3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one

(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one (PubChem CID 59706724) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one
PubChem CID59706724
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one
SMILESCC(C)[C@H]1CNC(=O)[C@H]1C(C)C
InChIInChI=1S/C10H19NO/c1-6(2)8-5-11-10(12)9(8)7(3)4/h6-9H,5H2,1-4H3,(H,11,12)/t8-,9+/m1/s1
InChIKeyIJFJACZQFPFVDF-BDAKNGLRSA-N
XLogP1.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one?
The IUPAC name of (3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one (CID 59706724) is (3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one?
The canonical SMILES for (3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one is CC(C)[C@H]1CNC(=O)[C@H]1C(C)C.
What is the InChIKey of (3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one?
The InChIKey is IJFJACZQFPFVDF-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19NO/c1-6(2)8-5-11-10(12)9(8)7(3)4/h6-9H,5H2,1-4H3,(H,11,12)/t8-,9+/m1/s1.
What are the key properties of (3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one?
(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 59706724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).