1,4,4-trimethyl-5-methylidenepyrrolidin-2-one

C8H13NO — CID 89461222

IUPAC1,4,4-trimethyl-5-methylidenepyrrolidin-2-one
SMILESC=C1N(C)C(=O)CC1(C)C
InChIInChI=1S/C8H13NO/c1-6-8(2,3)5-7(10)9(6)4/h1,5H2,2-4H3
InChIKeySKTXZOZJURRRLK-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.39
Rot. Bonds

About 1,4,4-trimethyl-5-methylidenepyrrolidin-2-one

1,4,4-trimethyl-5-methylidenepyrrolidin-2-one (PubChem CID 89461222) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1,4,4-trimethyl-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1,4,4-trimethyl-5-methylidenepyrrolidin-2-one
PubChem CID89461222
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1,4,4-trimethyl-5-methylidenepyrrolidin-2-one
SMILESC=C1N(C)C(=O)CC1(C)C
InChIInChI=1S/C8H13NO/c1-6-8(2,3)5-7(10)9(6)4/h1,5H2,2-4H3
InChIKeySKTXZOZJURRRLK-UHFFFAOYSA-N
XLogP1.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4,4-trimethyl-5-methylidenepyrrolidin-2-one?
The IUPAC name of 1,4,4-trimethyl-5-methylidenepyrrolidin-2-one (CID 89461222) is 1,4,4-trimethyl-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 1,4,4-trimethyl-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 1,4,4-trimethyl-5-methylidenepyrrolidin-2-one is C=C1N(C)C(=O)CC1(C)C.
What is the InChIKey of 1,4,4-trimethyl-5-methylidenepyrrolidin-2-one?
The InChIKey is SKTXZOZJURRRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-8(2,3)5-7(10)9(6)4/h1,5H2,2-4H3.
What are the key properties of 1,4,4-trimethyl-5-methylidenepyrrolidin-2-one?
1,4,4-trimethyl-5-methylidenepyrrolidin-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethyl-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 89461222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).