2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone

C11H21N3O — CID 61462383

IUPAC2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCN1CCC(NCC(=O)N2CCCC2)C1
InChIInChI=1S/C11H21N3O/c1-13-7-4-10(9-13)12-8-11(15)14-5-2-3-6-14/h10,12H,2-9H2,1H3
InChIKeyHEDHMNYTIODHLX-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.10
Rot. Bonds3

About 2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone

2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 61462383) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID61462383
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCN1CCC(NCC(=O)N2CCCC2)C1
InChIInChI=1S/C11H21N3O/c1-13-7-4-10(9-13)12-8-11(15)14-5-2-3-6-14/h10,12H,2-9H2,1H3
InChIKeyHEDHMNYTIODHLX-UHFFFAOYSA-N
XLogP-0.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidin-2-one
CID 64655345
1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]ethanone
CID 60695761
1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone
CID 60977352
3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113411272
N,N-dimethyl-2-[(1-methylpyrrolidin-3-yl)amino]acetamide
CID 61462384
4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidine-1-carboxamide
CID 113352679
tert-butyl 3-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrrolidine-1-carboxylate
CID 103801756
1-(azepan-1-yl)-2-[(1,1-dioxothian-4-yl)amino]ethanone
CID 43615246
2-(cyclopentylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 22321698
2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 93300981
4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60809874
1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone
CID 43610166

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone (CID 61462383) is 2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone is CN1CCC(NCC(=O)N2CCCC2)C1.
What is the InChIKey of 2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is HEDHMNYTIODHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-13-7-4-10(9-13)12-8-11(15)14-5-2-3-6-14/h10,12H,2-9H2,1H3.
What are the key properties of 2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone?
2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 211.31 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 61462383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).