(4S,5S)-1,3,3,4,5-pentamethylpyrrolidin-2-one

C9H17NO — CID 59868897

IUPAC(4S,5S)-1,3,3,4,5-pentamethylpyrrolidin-2-one
SMILESC[C@@H]1[C@H](C)N(C)C(=O)C1(C)C
InChIInChI=1S/C9H17NO/c1-6-7(2)10(5)8(11)9(6,3)4/h6-7H,1-5H3/t6-,7+/m1/s1
InChIKeyBRIRSCSDERUBBZ-RQJHMYQMSA-N
MW155.24 g/mol
LogP1.51
Rot. Bonds

About (4S,5S)-1,3,3,4,5-pentamethylpyrrolidin-2-one

(4S,5S)-1,3,3,4,5-pentamethylpyrrolidin-2-one (PubChem CID 59868897) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (4S,5S)-1,3,3,4,5-pentamethylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-1,3,3,4,5-pentamethylpyrrolidin-2-one
PubChem CID59868897
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(4S,5S)-1,3,3,4,5-pentamethylpyrrolidin-2-one
SMILESC[C@@H]1[C@H](C)N(C)C(=O)C1(C)C
InChIInChI=1S/C9H17NO/c1-6-7(2)10(5)8(11)9(6,3)4/h6-7H,1-5H3/t6-,7+/m1/s1
InChIKeyBRIRSCSDERUBBZ-RQJHMYQMSA-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 (4S,5S)-1,3,3,4,5-pentamethylpyrrolidin-2-one?
The IUPAC name of (4S,5S)-1,3,3,4,5-pentamethylpyrrolidin-2-one (CID 59868897) is (4S,5S)-1,3,3,4,5-pentamethylpyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-1,3,3,4,5-pentamethylpyrrolidin-2-one?
The canonical SMILES for (4S,5S)-1,3,3,4,5-pentamethylpyrrolidin-2-one is C[C@@H]1[C@H](C)N(C)C(=O)C1(C)C.
What is the InChIKey of (4S,5S)-1,3,3,4,5-pentamethylpyrrolidin-2-one?
The InChIKey is BRIRSCSDERUBBZ-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H17NO/c1-6-7(2)10(5)8(11)9(6,3)4/h6-7H,1-5H3/t6-,7+/m1/s1.
What are the key properties of (4S,5S)-1,3,3,4,5-pentamethylpyrrolidin-2-one?
(4S,5S)-1,3,3,4,5-pentamethylpyrrolidin-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 (4S,5S)-1,3,3,4,5-pentamethylpyrrolidin-2-one is sourced from PubChem (CID 59868897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).