(3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone

C12H22N2O — CID 79180510

IUPAC(3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCC1CN(C(=O)C2(C)CCNC2)CC1C
InChIInChI=1S/C12H22N2O/c1-9-6-14(7-10(9)2)11(15)12(3)4-5-13-8-12/h9-10,13H,4-8H2,1-3H3
InChIKeyUXBSMEAZJFIDFZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.10
Rot. Bonds1

About (3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone

(3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone (PubChem CID 79180510) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
PubChem CID79180510
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCC1CN(C(=O)C2(C)CCNC2)CC1C
InChIInChI=1S/C12H22N2O/c1-9-6-14(7-10(9)2)11(15)12(3)4-5-13-8-12/h9-10,13H,4-8H2,1-3H3
InChIKeyUXBSMEAZJFIDFZ-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119788100
2-[1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116682193
azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014
(3,5-dimethylpiperidin-1-yl)-(4-methylpiperidin-4-yl)methanone
CID 63121475
(3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980906
azepan-1-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119669541
(3-hydroxypiperidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138941
1-(3-methylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 63141724
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(3-methylpiperidin-3-yl)methanone
CID 119945501
N,N-dimethyl-1-(3-methylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 55164567
(3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120931
(4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138776

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone (CID 79180510) is (3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone is CC1CN(C(=O)C2(C)CCNC2)CC1C.
What is the InChIKey of (3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone?
The InChIKey is UXBSMEAZJFIDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9-6-14(7-10(9)2)11(15)12(3)4-5-13-8-12/h9-10,13H,4-8H2,1-3H3.
What are the key properties of (3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone?
(3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone has a molecular weight of 210.32 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 79180510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).