3,4-dimethyl-1-pyrrolidin-2-yl-1,4-diazepan-5-one

C11H21N3O — CID 112546665

IUPAC3,4-dimethyl-1-pyrrolidin-2-yl-1,4-diazepan-5-one
SMILESCC1CN(C2CCCN2)CCC(=O)N1C
InChIInChI=1S/C11H21N3O/c1-9-8-14(10-4-3-6-12-10)7-5-11(15)13(9)2/h9-10,12H,3-8H2,1-2H3
InChIKeyXWYZKQUFIZEURE-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.25
Rot. Bonds1

About 3,4-dimethyl-1-pyrrolidin-2-yl-1,4-diazepan-5-one

3,4-dimethyl-1-pyrrolidin-2-yl-1,4-diazepan-5-one (PubChem CID 112546665) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3,4-dimethyl-1-pyrrolidin-2-yl-1,4-diazepan-5-one.

Molecular Properties

Compound Name3,4-dimethyl-1-pyrrolidin-2-yl-1,4-diazepan-5-one
PubChem CID112546665
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3,4-dimethyl-1-pyrrolidin-2-yl-1,4-diazepan-5-one
SMILESCC1CN(C2CCCN2)CCC(=O)N1C
InChIInChI=1S/C11H21N3O/c1-9-8-14(10-4-3-6-12-10)7-5-11(15)13(9)2/h9-10,12H,3-8H2,1-2H3
InChIKeyXWYZKQUFIZEURE-UHFFFAOYSA-N
XLogP0.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethyl-4-piperidin-2-yl-1,4-diazepane
CID 115102287
1,2-dimethyl-4-piperidin-2-ylpiperazine
CID 112546464
1-pyrrolidin-2-ylazetidin-2-one
CID 112546295
1-methyl-4-[(2S)-pyrrolidin-2-yl]piperazine
CID 129370918
2-methyl-1-propan-2-yl-4-pyrrolidin-2-ylpiperazine
CID 112546685
5-methyl-1-pyrrolidin-2-ylpiperidin-2-one
CID 112546332
2-(4-methylpiperazin-1-yl)azepane
CID 57005564
1-methyl-3-pyrrolidin-2-ylimidazolidine-2,4-dione
CID 112546342
5-methyl-1-piperidin-2-ylazepan-2-one
CID 112546578
5-methyl-1-pyrrolidin-2-yl-1,3-diazinan-2-one
CID 112546349
2,4-dimethyl-1-piperidin-2-ylpiperazine
CID 112546461
2-methyl-1-pyrrolidin-2-yl-1,4-diazepane-5,7-dione
CID 112546600

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-pyrrolidin-2-yl-1,4-diazepan-5-one?
The IUPAC name of 3,4-dimethyl-1-pyrrolidin-2-yl-1,4-diazepan-5-one (CID 112546665) is 3,4-dimethyl-1-pyrrolidin-2-yl-1,4-diazepan-5-one.
What is the SMILES notation for 3,4-dimethyl-1-pyrrolidin-2-yl-1,4-diazepan-5-one?
The canonical SMILES for 3,4-dimethyl-1-pyrrolidin-2-yl-1,4-diazepan-5-one is CC1CN(C2CCCN2)CCC(=O)N1C.
What is the InChIKey of 3,4-dimethyl-1-pyrrolidin-2-yl-1,4-diazepan-5-one?
The InChIKey is XWYZKQUFIZEURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9-8-14(10-4-3-6-12-10)7-5-11(15)13(9)2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-pyrrolidin-2-yl-1,4-diazepan-5-one?
3,4-dimethyl-1-pyrrolidin-2-yl-1,4-diazepan-5-one has a molecular weight of 211.31 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-pyrrolidin-2-yl-1,4-diazepan-5-one is sourced from PubChem (CID 112546665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).