bis(2,5-dimethylpyrrolidin-1-yl)methanone

C13H24N2O — CID 91030343

IUPACbis(2,5-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CCC(C)N1C(=O)N1C(C)CCC1C
InChIInChI=1S/C13H24N2O/c1-9-5-6-10(2)14(9)13(16)15-11(3)7-8-12(15)4/h9-12H,5-8H2,1-4H3
InChIKeyMLVNWBVYKQSWQI-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.85
Rot. Bonds

About bis(2,5-dimethylpyrrolidin-1-yl)methanone

bis(2,5-dimethylpyrrolidin-1-yl)methanone (PubChem CID 91030343) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is bis(2,5-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namebis(2,5-dimethylpyrrolidin-1-yl)methanone
PubChem CID91030343
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Namebis(2,5-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CCC(C)N1C(=O)N1C(C)CCC1C
InChIInChI=1S/C13H24N2O/c1-9-5-6-10(2)14(9)13(16)15-11(3)7-8-12(15)4/h9-12H,5-8H2,1-4H3
InChIKeyMLVNWBVYKQSWQI-UHFFFAOYSA-N
XLogP2.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,5S)-2,5-dimethylpyrrolidine-1-carbothioic S-acid
CID 88721529
1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane
CID 145255131
1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 100963844
2-bromo-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone
CID 45080682
(2,5-dimethylpyrrolidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone
CID 130610130
(2S)-2-amino-1-(2,5-dimethylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 131089577
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 104967123
(2,5-dimethylpyrrolidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 130747889
1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylbutan-1-one
CID 100963841
(E)-1-(2,5-dimethylpyrrolidin-1-yl)-3-methylsulfanylprop-2-en-1-one
CID 131247495
cyclopropyl-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 130610084
1-(2,5-dimethylpyrrolidin-1-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
CID 549235

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of bis(2,5-dimethylpyrrolidin-1-yl)methanone (CID 91030343) is bis(2,5-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for bis(2,5-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for bis(2,5-dimethylpyrrolidin-1-yl)methanone is CC1CCC(C)N1C(=O)N1C(C)CCC1C.
What is the InChIKey of bis(2,5-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is MLVNWBVYKQSWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9-5-6-10(2)14(9)13(16)15-11(3)7-8-12(15)4/h9-12H,5-8H2,1-4H3.
What are the key properties of bis(2,5-dimethylpyrrolidin-1-yl)methanone?
bis(2,5-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 224.35 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 91030343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).