1-(1-methylpyrrolidin-1-ium-2-yl)propan-2-one

C8H16NO+ — CID 25200410

IUPAC1-(1-methylpyrrolidin-1-ium-2-yl)propan-2-one
SMILESCC(=O)CC1CCC[NH+]1C
InChIInChI=1S/C8H15NO/c1-7(10)6-8-4-3-5-9(8)2/h8H,3-6H2,1-2H3/p+1
InChIKeyADKXZIOQKHHDNQ-UHFFFAOYSA-O
MW142.22 g/mol
LogP-0.36
Rot. Bonds2

About 1-(1-methylpyrrolidin-1-ium-2-yl)propan-2-one

1-(1-methylpyrrolidin-1-ium-2-yl)propan-2-one (PubChem CID 25200410) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-1-ium-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-1-ium-2-yl)propan-2-one
PubChem CID25200410
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name1-(1-methylpyrrolidin-1-ium-2-yl)propan-2-one
SMILESCC(=O)CC1CCC[NH+]1C
InChIInChI=1S/C8H15NO/c1-7(10)6-8-4-3-5-9(8)2/h8H,3-6H2,1-2H3/p+1
InChIKeyADKXZIOQKHHDNQ-UHFFFAOYSA-O
XLogP-0.36
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(1-methylpyrrolidin-1-ium-2-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-1-ium-2-yl)propan-2-one?
The IUPAC name of 1-(1-methylpyrrolidin-1-ium-2-yl)propan-2-one (CID 25200410) is 1-(1-methylpyrrolidin-1-ium-2-yl)propan-2-one.
What is the SMILES notation for 1-(1-methylpyrrolidin-1-ium-2-yl)propan-2-one?
The canonical SMILES for 1-(1-methylpyrrolidin-1-ium-2-yl)propan-2-one is CC(=O)CC1CCC[NH+]1C.
What is the InChIKey of 1-(1-methylpyrrolidin-1-ium-2-yl)propan-2-one?
The InChIKey is ADKXZIOQKHHDNQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15NO/c1-7(10)6-8-4-3-5-9(8)2/h8H,3-6H2,1-2H3/p+1.
What are the key properties of 1-(1-methylpyrrolidin-1-ium-2-yl)propan-2-one?
1-(1-methylpyrrolidin-1-ium-2-yl)propan-2-one has a molecular weight of 142.22 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-1-ium-2-yl)propan-2-one is sourced from PubChem (CID 25200410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).