1-(1-acetyl-4-methylpyrrolidin-3-yl)ethanone

C9H15NO2 — CID 156736539

IUPAC1-(1-acetyl-4-methylpyrrolidin-3-yl)ethanone
SMILESCC(=O)C1CN(C(C)=O)CC1C
InChIInChI=1S/C9H15NO2/c1-6-4-10(8(3)12)5-9(6)7(2)11/h6,9H,4-5H2,1-3H3
InChIKeyAEAGIKIADYVNLQ-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.69
Rot. Bonds1

About 1-(1-acetyl-4-methylpyrrolidin-3-yl)ethanone

1-(1-acetyl-4-methylpyrrolidin-3-yl)ethanone (PubChem CID 156736539) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(1-acetyl-4-methylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-acetyl-4-methylpyrrolidin-3-yl)ethanone
PubChem CID156736539
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(1-acetyl-4-methylpyrrolidin-3-yl)ethanone
SMILESCC(=O)C1CN(C(C)=O)CC1C
InChIInChI=1S/C9H15NO2/c1-6-4-10(8(3)12)5-9(6)7(2)11/h6,9H,4-5H2,1-3H3
InChIKeyAEAGIKIADYVNLQ-UHFFFAOYSA-N
XLogP0.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-4-methylpyrrolidin-1-yl)ethanone
CID 82594406
1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3361054
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
1-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone
CID 130768808
1-(1-acetylazetidin-3-yl)ethanone;ethane
CID 144882455
1-acetyl-4-methylpyrrolidine-3-carbonitrile
CID 155356325
methyl 1-acetyl-3-methylpiperidine-4-carboxylate
CID 175131976
1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone
CID 163675775
1-(4,5-dimethylazepan-1-yl)ethanone
CID 139460502
1-(3-fluoroazetidin-1-yl)ethanone
CID 89181336
1-(1,2,5-trimethylpiperidin-4-yl)ethanone
CID 45086487
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone
CID 129394019

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-4-methylpyrrolidin-3-yl)ethanone?
The IUPAC name of 1-(1-acetyl-4-methylpyrrolidin-3-yl)ethanone (CID 156736539) is 1-(1-acetyl-4-methylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 1-(1-acetyl-4-methylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 1-(1-acetyl-4-methylpyrrolidin-3-yl)ethanone is CC(=O)C1CN(C(C)=O)CC1C.
What is the InChIKey of 1-(1-acetyl-4-methylpyrrolidin-3-yl)ethanone?
The InChIKey is AEAGIKIADYVNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-4-10(8(3)12)5-9(6)7(2)11/h6,9H,4-5H2,1-3H3.
What are the key properties of 1-(1-acetyl-4-methylpyrrolidin-3-yl)ethanone?
1-(1-acetyl-4-methylpyrrolidin-3-yl)ethanone has a molecular weight of 169.22 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-4-methylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 156736539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).