(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-pyrrolidin-2-ylmethanone

C11H18N2O2 — CID 121202172

IUPAC(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-pyrrolidin-2-ylmethanone
SMILESO=C(C1CCCN1)N1CC2CC(C1)C2O
InChIInChI=1S/C11H18N2O2/c14-10-7-4-8(10)6-13(5-7)11(15)9-2-1-3-12-9/h7-10,12,14H,1-6H2
InChIKeyCZSMQJCOLVUEGZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.42
Rot. Bonds1

About (6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-pyrrolidin-2-ylmethanone

(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-pyrrolidin-2-ylmethanone (PubChem CID 121202172) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-pyrrolidin-2-ylmethanone
PubChem CID121202172
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-pyrrolidin-2-ylmethanone
SMILESO=C(C1CCCN1)N1CC2CC(C1)C2O
InChIInChI=1S/C11H18N2O2/c14-10-7-4-8(10)6-13(5-7)11(15)9-2-1-3-12-9/h7-10,12,14H,1-6H2
InChIKeyCZSMQJCOLVUEGZ-UHFFFAOYSA-N
XLogP-0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 119326390
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl(piperidin-2-yl)methanone
CID 119326244
(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-piperidin-2-ylmethanone
CID 121202218
(3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 107217621
(3-hydroxyazetidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 107217589
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 129414461
(3-methoxyazetidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 129362673
morpholin-4-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 7175775
3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-2-yl)methanone
CID 121202091
pyrrolidin-2-yl(1,4,7-trioxa-10-azacyclododec-10-yl)methanone
CID 3095254
1-(azocane-2-carbonyl)azetidine-3-carboxylic acid
CID 114240179

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-pyrrolidin-2-ylmethanone (CID 121202172) is (6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-pyrrolidin-2-ylmethanone is O=C(C1CCCN1)N1CC2CC(C1)C2O.
What is the InChIKey of (6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-pyrrolidin-2-ylmethanone?
The InChIKey is CZSMQJCOLVUEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-10-7-4-8(10)6-13(5-7)11(15)9-2-1-3-12-9/h7-10,12,14H,1-6H2.
What are the key properties of (6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-pyrrolidin-2-ylmethanone?
(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-pyrrolidin-2-ylmethanone has a molecular weight of 210.28 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 121202172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).