(5R)-3,3,5-trimethyl-1-(3-methylbutanoyl)pyrrolidin-2-one

C12H21NO2 — CID 67737776

IUPAC(5R)-3,3,5-trimethyl-1-(3-methylbutanoyl)pyrrolidin-2-one
SMILESCC(C)CC(=O)N1C(=O)C(C)(C)C[C@H]1C
InChIInChI=1S/C12H21NO2/c1-8(2)6-10(14)13-9(3)7-12(4,5)11(13)15/h8-9H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyKLTGEJJEBYDCDQ-SECBINFHSA-N
MW211.30 g/mol
LogP2.21
Rot. Bonds2

About (5R)-3,3,5-trimethyl-1-(3-methylbutanoyl)pyrrolidin-2-one

(5R)-3,3,5-trimethyl-1-(3-methylbutanoyl)pyrrolidin-2-one (PubChem CID 67737776) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (5R)-3,3,5-trimethyl-1-(3-methylbutanoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-3,3,5-trimethyl-1-(3-methylbutanoyl)pyrrolidin-2-one
PubChem CID67737776
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(5R)-3,3,5-trimethyl-1-(3-methylbutanoyl)pyrrolidin-2-one
SMILESCC(C)CC(=O)N1C(=O)C(C)(C)C[C@H]1C
InChIInChI=1S/C12H21NO2/c1-8(2)6-10(14)13-9(3)7-12(4,5)11(13)15/h8-9H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyKLTGEJJEBYDCDQ-SECBINFHSA-N
XLogP2.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3,3,5-trimethyl-1-(3-methylbutanoyl)pyrrolidin-2-one?
The IUPAC name of (5R)-3,3,5-trimethyl-1-(3-methylbutanoyl)pyrrolidin-2-one (CID 67737776) is (5R)-3,3,5-trimethyl-1-(3-methylbutanoyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-3,3,5-trimethyl-1-(3-methylbutanoyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-3,3,5-trimethyl-1-(3-methylbutanoyl)pyrrolidin-2-one is CC(C)CC(=O)N1C(=O)C(C)(C)C[C@H]1C.
What is the InChIKey of (5R)-3,3,5-trimethyl-1-(3-methylbutanoyl)pyrrolidin-2-one?
The InChIKey is KLTGEJJEBYDCDQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H21NO2/c1-8(2)6-10(14)13-9(3)7-12(4,5)11(13)15/h8-9H,6-7H2,1-5H3/t9-/m1/s1.
What are the key properties of (5R)-3,3,5-trimethyl-1-(3-methylbutanoyl)pyrrolidin-2-one?
(5R)-3,3,5-trimethyl-1-(3-methylbutanoyl)pyrrolidin-2-one has a molecular weight of 211.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,3,5-trimethyl-1-(3-methylbutanoyl)pyrrolidin-2-one is sourced from PubChem (CID 67737776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).