(3,4-dimethoxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone

C11H20N2O3 — CID 103533146

IUPAC(3,4-dimethoxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
SMILESCOC1CN(C(=O)C2CCNC2)CC1OC
InChIInChI=1S/C11H20N2O3/c1-15-9-6-13(7-10(9)16-2)11(14)8-3-4-12-5-8/h8-10,12H,3-7H2,1-2H3
InChIKeyQWRPRAIWMPKGGJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.53
Rot. Bonds3

About (3,4-dimethoxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone

(3,4-dimethoxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone (PubChem CID 103533146) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (3,4-dimethoxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(3,4-dimethoxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
PubChem CID103533146
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(3,4-dimethoxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
SMILESCOC1CN(C(=O)C2CCNC2)CC1OC
InChIInChI=1S/C11H20N2O3/c1-15-9-6-13(7-10(9)16-2)11(14)8-3-4-12-5-8/h8-10,12H,3-7H2,1-2H3
InChIKeyQWRPRAIWMPKGGJ-UHFFFAOYSA-N
XLogP-0.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxypiperidin-1-yl)-pyrrolidin-3-ylmethanone
CID 103809318
(3-tert-butylazetidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 164785278
(2,6-dimethylmorpholin-4-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119669803
[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-piperidin-3-ylmethanone;hydrochloride
CID 154911024
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
(3aS,6aR)-5-[(3R)-pyrrolidine-3-carbonyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 129354111
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424
[(3S,4S)-3-(ethoxymethyl)-4-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 129499600
[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 129414461
(3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
CID 115740808
[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129414458

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (3,4-dimethoxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone (CID 103533146) is (3,4-dimethoxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (3,4-dimethoxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (3,4-dimethoxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone is COC1CN(C(=O)C2CCNC2)CC1OC.
What is the InChIKey of (3,4-dimethoxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone?
The InChIKey is QWRPRAIWMPKGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-15-9-6-13(7-10(9)16-2)11(14)8-3-4-12-5-8/h8-10,12H,3-7H2,1-2H3.
What are the key properties of (3,4-dimethoxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone?
(3,4-dimethoxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone has a molecular weight of 228.29 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 103533146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).