2-azabicyclo[2.2.1]heptan-2-yl-(3-ethylpyrrolidin-3-yl)methanone

C13H22N2O — CID 63142542

IUPAC2-azabicyclo[2.2.1]heptan-2-yl-(3-ethylpyrrolidin-3-yl)methanone
SMILESCCC1(C(=O)N2CC3CCC2C3)CCNC1
InChIInChI=1S/C13H22N2O/c1-2-13(5-6-14-9-13)12(16)15-8-10-3-4-11(15)7-10/h10-11,14H,2-9H2,1H3
InChIKeyGCAIIWTVMVXXAN-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.39
Rot. Bonds2

About 2-azabicyclo[2.2.1]heptan-2-yl-(3-ethylpyrrolidin-3-yl)methanone

2-azabicyclo[2.2.1]heptan-2-yl-(3-ethylpyrrolidin-3-yl)methanone (PubChem CID 63142542) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl-(3-ethylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl-(3-ethylpyrrolidin-3-yl)methanone
PubChem CID63142542
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl-(3-ethylpyrrolidin-3-yl)methanone
SMILESCCC1(C(=O)N2CC3CCC2C3)CCNC1
InChIInChI=1S/C13H22N2O/c1-2-13(5-6-14-9-13)12(16)15-8-10-3-4-11(15)7-10/h10-11,14H,2-9H2,1H3
InChIKeyGCAIIWTVMVXXAN-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-azabicyclo[2.2.1]heptan-2-yl-(1-methylcyclopropyl)methanone
CID 130635119
(3-ethylpyrrolidin-3-yl)-(3-methylmorpholin-4-yl)methanone
CID 63138588
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-ethylpyrrolidin-3-yl)methanone
CID 65320934
(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66264088
(4-ethylpiperidin-4-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63769802
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-ethylpyrrolidin-3-yl)methanone
CID 104967374
2-[1-(3-ethylpyrrolidine-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 55164770
(4,4-dimethylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 55165162
(3-ethylpyrrolidin-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 63141995
(4-ethylpiperidin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107220328
1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 63140257
(4-tert-butylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 63141988

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-(3-ethylpyrrolidin-3-yl)methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-(3-ethylpyrrolidin-3-yl)methanone (CID 63142542) is 2-azabicyclo[2.2.1]heptan-2-yl-(3-ethylpyrrolidin-3-yl)methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl-(3-ethylpyrrolidin-3-yl)methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl-(3-ethylpyrrolidin-3-yl)methanone is CCC1(C(=O)N2CC3CCC2C3)CCNC1.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl-(3-ethylpyrrolidin-3-yl)methanone?
The InChIKey is GCAIIWTVMVXXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-13(5-6-14-9-13)12(16)15-8-10-3-4-11(15)7-10/h10-11,14H,2-9H2,1H3.
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl-(3-ethylpyrrolidin-3-yl)methanone?
2-azabicyclo[2.2.1]heptan-2-yl-(3-ethylpyrrolidin-3-yl)methanone has a molecular weight of 222.33 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl-(3-ethylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 63142542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).