1,3,3,5-tetramethyl-5-(2-methylpropyl)pyrrolidin-2-one

C12H23NO — CID 176667002

IUPAC1,3,3,5-tetramethyl-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CC1(C)CC(C)(C)C(=O)N1C
InChIInChI=1S/C12H23NO/c1-9(2)7-12(5)8-11(3,4)10(14)13(12)6/h9H,7-8H2,1-6H3
InChIKeyDVKWGPMUFWRVHJ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.68
Rot. Bonds2

About 1,3,3,5-tetramethyl-5-(2-methylpropyl)pyrrolidin-2-one

1,3,3,5-tetramethyl-5-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 176667002) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1,3,3,5-tetramethyl-5-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1,3,3,5-tetramethyl-5-(2-methylpropyl)pyrrolidin-2-one
PubChem CID176667002
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1,3,3,5-tetramethyl-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CC1(C)CC(C)(C)C(=O)N1C
InChIInChI=1S/C12H23NO/c1-9(2)7-12(5)8-11(3,4)10(14)13(12)6/h9H,7-8H2,1-6H3
InChIKeyDVKWGPMUFWRVHJ-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,5-tetramethyl-5-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 1,3,3,5-tetramethyl-5-(2-methylpropyl)pyrrolidin-2-one (CID 176667002) is 1,3,3,5-tetramethyl-5-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 1,3,3,5-tetramethyl-5-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 1,3,3,5-tetramethyl-5-(2-methylpropyl)pyrrolidin-2-one is CC(C)CC1(C)CC(C)(C)C(=O)N1C.
What is the InChIKey of 1,3,3,5-tetramethyl-5-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is DVKWGPMUFWRVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)7-12(5)8-11(3,4)10(14)13(12)6/h9H,7-8H2,1-6H3.
What are the key properties of 1,3,3,5-tetramethyl-5-(2-methylpropyl)pyrrolidin-2-one?
1,3,3,5-tetramethyl-5-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,5-tetramethyl-5-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 176667002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).