1,3,3-trimethylpyrrolidin-2-one

C7H13NO — CID 14361323

IUPAC1,3,3-trimethylpyrrolidin-2-one
SMILESCN1CCC(C)(C)C1=O
InChIInChI=1S/C7H13NO/c1-7(2)4-5-8(3)6(7)9/h4-5H2,1-3H3
InChIKeyKWPVLUWTOJHTFX-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.87
Rot. Bonds

About 1,3,3-trimethylpyrrolidin-2-one

1,3,3-trimethylpyrrolidin-2-one (PubChem CID 14361323) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1,3,3-trimethylpyrrolidin-2-one.

Molecular Properties

Compound Name1,3,3-trimethylpyrrolidin-2-one
PubChem CID14361323
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1,3,3-trimethylpyrrolidin-2-one
SMILESCN1CCC(C)(C)C1=O
InChIInChI=1S/C7H13NO/c1-7(2)4-5-8(3)6(7)9/h4-5H2,1-3H3
InChIKeyKWPVLUWTOJHTFX-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethylpyrrolidin-2-one?
The IUPAC name of 1,3,3-trimethylpyrrolidin-2-one (CID 14361323) is 1,3,3-trimethylpyrrolidin-2-one.
What is the SMILES notation for 1,3,3-trimethylpyrrolidin-2-one?
The canonical SMILES for 1,3,3-trimethylpyrrolidin-2-one is CN1CCC(C)(C)C1=O.
What is the InChIKey of 1,3,3-trimethylpyrrolidin-2-one?
The InChIKey is KWPVLUWTOJHTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-7(2)4-5-8(3)6(7)9/h4-5H2,1-3H3.
What are the key properties of 1,3,3-trimethylpyrrolidin-2-one?
1,3,3-trimethylpyrrolidin-2-one has a molecular weight of 127.19 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethylpyrrolidin-2-one is sourced from PubChem (CID 14361323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).