1-methyl-4-propan-2-ylpyrrolidin-2-one

C8H15NO — CID 21391668

IUPAC1-methyl-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)N(C)C1
InChIInChI=1S/C8H15NO/c1-6(2)7-4-8(10)9(3)5-7/h6-7H,4-5H2,1-3H3
InChIKeyTUSSZSKVMJBVEV-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.12
Rot. Bonds1

About 1-methyl-4-propan-2-ylpyrrolidin-2-one

1-methyl-4-propan-2-ylpyrrolidin-2-one (PubChem CID 21391668) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylpyrrolidin-2-one
PubChem CID21391668
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-methyl-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)N(C)C1
InChIInChI=1S/C8H15NO/c1-6(2)7-4-8(10)9(3)5-7/h6-7H,4-5H2,1-3H3
InChIKeyTUSSZSKVMJBVEV-UHFFFAOYSA-N
XLogP1.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-2-Oxy-5,5-Dimethyl Pyrrolidine
CID 444570
4-(Propan-2-yl)pyrrolidin-2-one
CID 20976007
Valproyl-2-pyrrolidinone
CID 129151
1-(2-Ethylhexyl)pyrrolidin-2-one
CID 15350951
1,3,4,5-Tetramethylpyrrolidin-2-one
CID 14767583
4-Ethyl-3-methyl-pyrrolin-2-one
CID 20494812
3,4-Diethylpyrrolin-2-one
CID 21354352
3-isopropyl-N-methylsuccinimide
CID 57959296
Diethyl-2-pyrrolidinone
CID 58939186
(4R,5R)-1,4,5-trimethylpyrrolidin-2-one
CID 68039658
1-Tert-butyl-4-ethylpyrrolidin-2-one
CID 85681495
1-Tert-butyl-4-propan-2-ylpyrrolidin-2-one
CID 85681497

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-methyl-4-propan-2-ylpyrrolidin-2-one (CID 21391668) is 1-methyl-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-methyl-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-methyl-4-propan-2-ylpyrrolidin-2-one is CC(C)C1CC(=O)N(C)C1.
What is the InChIKey of 1-methyl-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is TUSSZSKVMJBVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)7-4-8(10)9(3)5-7/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-methyl-4-propan-2-ylpyrrolidin-2-one?
1-methyl-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 21391668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).