2-(2,3-dimethylanilino)-1-pyrrolidin-1-ylpropan-1-one

C15H22N2O — CID 42912733

IUPAC2-(2,3-dimethylanilino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1cccc(NC(C)C(=O)N2CCCC2)c1C
InChIInChI=1S/C15H22N2O/c1-11-7-6-8-14(12(11)2)16-13(3)15(18)17-9-4-5-10-17/h6-8,13,16H,4-5,9-10H2,1-3H3
InChIKeyYJWUBECXPTZYFM-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.73
Rot. Bonds3

About 2-(2,3-dimethylanilino)-1-pyrrolidin-1-ylpropan-1-one

2-(2,3-dimethylanilino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 42912733) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID42912733
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(2,3-dimethylanilino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1cccc(NC(C)C(=O)N2CCCC2)c1C
InChIInChI=1S/C15H22N2O/c1-11-7-6-8-14(12(11)2)16-13(3)15(18)17-9-4-5-10-17/h6-8,13,16H,4-5,9-10H2,1-3H3
InChIKeyYJWUBECXPTZYFM-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethylanilino)propanoic acid
CID 13138172
1-(azepan-1-yl)-2-(2-fluoroanilino)propan-1-one
CID 43086908
2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083827
2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43806052
2-(azepan-1-yl)-N-(2,3-dimethylphenyl)-2-oxoacetamide
CID 47335483
2-amino-3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzonitrile
CID 104717053
2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406
2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 42904169
1-(azepan-1-yl)-2-(2,3-dimethylphenoxy)propan-1-one
CID 43908541
(2S)-2-(4,5-dimethoxy-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 30377089
(2R)-2-(2-phenoxyanilino)-1-piperidin-1-ylpropan-1-one
CID 2462402
(2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973670

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(2,3-dimethylanilino)-1-pyrrolidin-1-ylpropan-1-one (CID 42912733) is 2-(2,3-dimethylanilino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2,3-dimethylanilino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(2,3-dimethylanilino)-1-pyrrolidin-1-ylpropan-1-one is Cc1cccc(NC(C)C(=O)N2CCCC2)c1C.
What is the InChIKey of 2-(2,3-dimethylanilino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is YJWUBECXPTZYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-7-6-8-14(12(11)2)16-13(3)15(18)17-9-4-5-10-17/h6-8,13,16H,4-5,9-10H2,1-3H3.
What are the key properties of 2-(2,3-dimethylanilino)-1-pyrrolidin-1-ylpropan-1-one?
2-(2,3-dimethylanilino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 42912733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).