2-(3-ethylanilino)-1-pyrrolidin-1-ylpropan-1-one

C15H22N2O — CID 43083698

IUPAC2-(3-ethylanilino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCCc1cccc(NC(C)C(=O)N2CCCC2)c1
InChIInChI=1S/C15H22N2O/c1-3-13-7-6-8-14(11-13)16-12(2)15(18)17-9-4-5-10-17/h6-8,11-12,16H,3-5,9-10H2,1-2H3
InChIKeyAYVMESYQRMJVIC-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.67
Rot. Bonds4

About 2-(3-ethylanilino)-1-pyrrolidin-1-ylpropan-1-one

2-(3-ethylanilino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 43083698) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(3-ethylanilino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(3-ethylanilino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID43083698
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(3-ethylanilino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCCc1cccc(NC(C)C(=O)N2CCCC2)c1
InChIInChI=1S/C15H22N2O/c1-3-13-7-6-8-14(11-13)16-12(2)15(18)17-9-4-5-10-17/h6-8,11-12,16H,3-5,9-10H2,1-2H3
InChIKeyAYVMESYQRMJVIC-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide
CID 18086394
2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one
CID 43083385
2-(3-nitroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 112683085
(2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 41328427
N-cyclopropyl-3-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]benzamide
CID 9361250
2-(4-bromo-3-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083553
2-(3-ethylanilino)-N-(3-methylbutyl)propanamide
CID 43113209
2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide
CID 43084470
1-(3-ethylanilino)ethanol
CID 174601913
2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406
2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083632
2-(3-ethylanilino)-N-(4-methylphenyl)propanamide
CID 60638712

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylanilino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(3-ethylanilino)-1-pyrrolidin-1-ylpropan-1-one (CID 43083698) is 2-(3-ethylanilino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(3-ethylanilino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(3-ethylanilino)-1-pyrrolidin-1-ylpropan-1-one is CCc1cccc(NC(C)C(=O)N2CCCC2)c1.
What is the InChIKey of 2-(3-ethylanilino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is AYVMESYQRMJVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-13-7-6-8-14(11-13)16-12(2)15(18)17-9-4-5-10-17/h6-8,11-12,16H,3-5,9-10H2,1-2H3.
What are the key properties of 2-(3-ethylanilino)-1-pyrrolidin-1-ylpropan-1-one?
2-(3-ethylanilino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylanilino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 43083698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).