1-(aziridin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)ethanone

C10H18N2O — CID 130727537

IUPAC1-(aziridin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)ethanone
SMILESCC1CCC(C)N1CC(=O)N1CC1
InChIInChI=1S/C10H18N2O/c1-8-3-4-9(2)12(8)7-10(13)11-5-6-11/h8-9H,3-7H2,1-2H3
InChIKeyKFSNBTUPKFJKLU-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.70
Rot. Bonds2

About 1-(aziridin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)ethanone

1-(aziridin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)ethanone (PubChem CID 130727537) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(aziridin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(aziridin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)ethanone
PubChem CID130727537
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(aziridin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)ethanone
SMILESCC1CCC(C)N1CC(=O)N1CC1
InChIInChI=1S/C10H18N2O/c1-8-3-4-9(2)12(8)7-10(13)11-5-6-11/h8-9H,3-7H2,1-2H3
InChIKeyKFSNBTUPKFJKLU-UHFFFAOYSA-N
XLogP0.70
TPSA23.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,5-dimethylpyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119354016
2-(2,5-dimethylpyrrolidin-1-yl)-N,N-dimethylacetamide
CID 126990033
ethane;2-[4-(3-hydroxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 170569075
1-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;dihydrochloride
CID 119869077
2-(2,6-dimethyl(213C)azinan-1-yl)acetic acid
CID 91351477
2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]acetic acid
CID 6994012
ethane;2-[4-(2-hydroxyethyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone
CID 170569135
1-(4-ethylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 59555423
2-(2,5-dimethylpyrrolidin-1-yl)-N-methoxyacetamide
CID 131155453
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
1-(2,6-dimethylpiperidin-1-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 75399387
2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521829

Frequently Asked Questions

What is the IUPAC name of 1-(aziridin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(aziridin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)ethanone (CID 130727537) is 1-(aziridin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(aziridin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(aziridin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)ethanone is CC1CCC(C)N1CC(=O)N1CC1.
What is the InChIKey of 1-(aziridin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)ethanone?
The InChIKey is KFSNBTUPKFJKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8-3-4-9(2)12(8)7-10(13)11-5-6-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(aziridin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)ethanone?
1-(aziridin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)ethanone has a molecular weight of 182.27 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aziridin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 130727537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).