(3-methylpyrrolidin-1-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone

C11H18N2O2 — CID 170767965

IUPAC(3-methylpyrrolidin-1-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
SMILESCC1CCN(C(=O)N2CC3CC2CO3)C1
InChIInChI=1S/C11H18N2O2/c1-8-2-3-12(5-8)11(14)13-6-10-4-9(13)7-15-10/h8-10H,2-7H2,1H3
InChIKeyREVZARVTMVSRKA-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.92
Rot. Bonds

About (3-methylpyrrolidin-1-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone

(3-methylpyrrolidin-1-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone (PubChem CID 170767965) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (3-methylpyrrolidin-1-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone.

Molecular Properties

Compound Name(3-methylpyrrolidin-1-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
PubChem CID170767965
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(3-methylpyrrolidin-1-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
SMILESCC1CCN(C(=O)N2CC3CC2CO3)C1
InChIInChI=1S/C11H18N2O2/c1-8-2-3-12(5-8)11(14)13-6-10-4-9(13)7-15-10/h8-10H,2-7H2,1H3
InChIKeyREVZARVTMVSRKA-UHFFFAOYSA-N
XLogP0.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone
CID 118104170
ethane;1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone
CID 145255190
(3-methylimidazol-3-ium-1-yl)-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone
CID 87255899
1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-2-sulfanylpropan-1-one
CID 130834901
3-methyl-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)but-2-en-1-one
CID 130710436
2-(methylamino)-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone
CID 121202011
azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone
CID 166738845
2-methyl-1-(3-methylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383271
(2,5-dimethylmorpholin-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 116654294
1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425542
(2,4-dimethylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 116655527
4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidine-2-carboxylic acid
CID 114425695

Frequently Asked Questions

What is the IUPAC name of (3-methylpyrrolidin-1-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The IUPAC name of (3-methylpyrrolidin-1-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone (CID 170767965) is (3-methylpyrrolidin-1-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone.
What is the SMILES notation for (3-methylpyrrolidin-1-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The canonical SMILES for (3-methylpyrrolidin-1-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone is CC1CCN(C(=O)N2CC3CC2CO3)C1.
What is the InChIKey of (3-methylpyrrolidin-1-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The InChIKey is REVZARVTMVSRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-2-3-12(5-8)11(14)13-6-10-4-9(13)7-15-10/h8-10H,2-7H2,1H3.
What are the key properties of (3-methylpyrrolidin-1-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
(3-methylpyrrolidin-1-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone has a molecular weight of 210.28 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrrolidin-1-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone is sourced from PubChem (CID 170767965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).