3,3,4,5-tetramethyl-1-propan-2-ylpyrrol-2-one

C11H19NO — CID 59463802

IUPAC3,3,4,5-tetramethyl-1-propan-2-ylpyrrol-2-one
SMILESCC1=C(C)C(C)(C)C(=O)N1C(C)C
InChIInChI=1S/C11H19NO/c1-7(2)12-9(4)8(3)11(5,6)10(12)13/h7H,1-6H3
InChIKeyJXPWQDYRWIXZLV-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.56
Rot. Bonds1

About 3,3,4,5-tetramethyl-1-propan-2-ylpyrrol-2-one

3,3,4,5-tetramethyl-1-propan-2-ylpyrrol-2-one (PubChem CID 59463802) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3,3,4,5-tetramethyl-1-propan-2-ylpyrrol-2-one.

Molecular Properties

Compound Name3,3,4,5-tetramethyl-1-propan-2-ylpyrrol-2-one
PubChem CID59463802
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3,3,4,5-tetramethyl-1-propan-2-ylpyrrol-2-one
SMILESCC1=C(C)C(C)(C)C(=O)N1C(C)C
InChIInChI=1S/C11H19NO/c1-7(2)12-9(4)8(3)11(5,6)10(12)13/h7H,1-6H3
InChIKeyJXPWQDYRWIXZLV-UHFFFAOYSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,5-tetramethyl-1-propan-2-ylpyrrol-2-one?
The IUPAC name of 3,3,4,5-tetramethyl-1-propan-2-ylpyrrol-2-one (CID 59463802) is 3,3,4,5-tetramethyl-1-propan-2-ylpyrrol-2-one.
What is the SMILES notation for 3,3,4,5-tetramethyl-1-propan-2-ylpyrrol-2-one?
The canonical SMILES for 3,3,4,5-tetramethyl-1-propan-2-ylpyrrol-2-one is CC1=C(C)C(C)(C)C(=O)N1C(C)C.
What is the InChIKey of 3,3,4,5-tetramethyl-1-propan-2-ylpyrrol-2-one?
The InChIKey is JXPWQDYRWIXZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-7(2)12-9(4)8(3)11(5,6)10(12)13/h7H,1-6H3.
What are the key properties of 3,3,4,5-tetramethyl-1-propan-2-ylpyrrol-2-one?
3,3,4,5-tetramethyl-1-propan-2-ylpyrrol-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5-tetramethyl-1-propan-2-ylpyrrol-2-one is sourced from PubChem (CID 59463802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).