(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone

C11H18N2O — CID 106313965

IUPAC(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
SMILESCC1=CCCN(C(=O)[C@H]2CCCN2)C1
InChIInChI=1S/C11H18N2O/c1-9-4-3-7-13(8-9)11(14)10-5-2-6-12-10/h4,10,12H,2-3,5-8H2,1H3/t10-/m1/s1
InChIKeyYIWPIAJYHJXPHP-SNVBAGLBSA-N
MW194.28 g/mol
LogP0.92
Rot. Bonds1

About (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone

(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 106313965) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID106313965
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
SMILESCC1=CCCN(C(=O)[C@H]2CCCN2)C1
InChIInChI=1S/C11H18N2O/c1-9-4-3-7-13(8-9)11(14)10-5-2-6-12-10/h4,10,12H,2-3,5-8H2,1H3/t10-/m1/s1
InChIKeyYIWPIAJYHJXPHP-SNVBAGLBSA-N
XLogP0.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-thiomorpholin-3-ylmethanone
CID 106313979
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpiperidin-4-yl)methanone
CID 106314070
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
cis-(1S,2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 106313385
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313762
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 119320268
1-[4-[(2S)-pyrrolidine-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 55002826
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone
CID 110481278
3,6-dihydro-2H-pyridin-1-yl-[(2R)-piperidin-2-yl]methanone
CID 104921213
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119265303

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone (CID 106313965) is (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone is CC1=CCCN(C(=O)[C@H]2CCCN2)C1.
What is the InChIKey of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is YIWPIAJYHJXPHP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9-4-3-7-13(8-9)11(14)10-5-2-6-12-10/h4,10,12H,2-3,5-8H2,1H3/t10-/m1/s1.
What are the key properties of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone?
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 194.28 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 106313965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).