5-[[1-(2,3-dichlorophenyl)ethylamino]methyl]pyrrolidin-2-one

C13H16Cl2N2O — CID 103902371

IUPAC5-[[1-(2,3-dichlorophenyl)ethylamino]methyl]pyrrolidin-2-one
SMILESCC(NCC1CCC(=O)N1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H16Cl2N2O/c1-8(10-3-2-4-11(14)13(10)15)16-7-9-5-6-12(18)17-9/h2-4,8-9,16H,5-7H2,1H3,(H,17,18)
InChIKeyLMPQRSNDNZXSQF-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.92
Rot. Bonds4

About 5-[[1-(2,3-dichlorophenyl)ethylamino]methyl]pyrrolidin-2-one

5-[[1-(2,3-dichlorophenyl)ethylamino]methyl]pyrrolidin-2-one (PubChem CID 103902371) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 5-[[1-(2,3-dichlorophenyl)ethylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[1-(2,3-dichlorophenyl)ethylamino]methyl]pyrrolidin-2-one
PubChem CID103902371
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name5-[[1-(2,3-dichlorophenyl)ethylamino]methyl]pyrrolidin-2-one
SMILESCC(NCC1CCC(=O)N1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H16Cl2N2O/c1-8(10-3-2-4-11(14)13(10)15)16-7-9-5-6-12(18)17-9/h2-4,8-9,16H,5-7H2,1H3,(H,17,18)
InChIKeyLMPQRSNDNZXSQF-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one
CID 107529754
5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one
CID 60726591
1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 113259759
5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one
CID 107529769
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine
CID 103777374
5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one
CID 60726637
5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one
CID 104653034
1-(2,3-dichlorophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 103782974
5-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-2-one
CID 115890616
2-N-cyclopropyl-1-N-[1-(2,3-dichlorophenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 103781583
N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine
CID 129414495
5-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrolidin-2-one
CID 107529971

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2,3-dichlorophenyl)ethylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[1-(2,3-dichlorophenyl)ethylamino]methyl]pyrrolidin-2-one (CID 103902371) is 5-[[1-(2,3-dichlorophenyl)ethylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[1-(2,3-dichlorophenyl)ethylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[1-(2,3-dichlorophenyl)ethylamino]methyl]pyrrolidin-2-one is CC(NCC1CCC(=O)N1)c1cccc(Cl)c1Cl.
What is the InChIKey of 5-[[1-(2,3-dichlorophenyl)ethylamino]methyl]pyrrolidin-2-one?
The InChIKey is LMPQRSNDNZXSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-8(10-3-2-4-11(14)13(10)15)16-7-9-5-6-12(18)17-9/h2-4,8-9,16H,5-7H2,1H3,(H,17,18).
What are the key properties of 5-[[1-(2,3-dichlorophenyl)ethylamino]methyl]pyrrolidin-2-one?
5-[[1-(2,3-dichlorophenyl)ethylamino]methyl]pyrrolidin-2-one has a molecular weight of 287.19 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2,3-dichlorophenyl)ethylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 103902371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).