1,3-benzodioxol-4-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

C14H18N2O3 — CID 124613125

IUPAC1,3-benzodioxol-4-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNC[C@H]1CCN(C(=O)c2cccc3c2OCO3)C1
InChIInChI=1S/C14H18N2O3/c1-15-7-10-5-6-16(8-10)14(17)11-3-2-4-12-13(11)19-9-18-12/h2-4,10,15H,5-9H2,1H3/t10-/m1/s1
InChIKeyXODJQHZDVJQRCC-SNVBAGLBSA-N
MW262.31 g/mol
LogP1.10
Rot. Bonds3

About 1,3-benzodioxol-4-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

1,3-benzodioxol-4-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 124613125) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1,3-benzodioxol-4-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-4-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID124613125
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1,3-benzodioxol-4-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNC[C@H]1CCN(C(=O)c2cccc3c2OCO3)C1
InChIInChI=1S/C14H18N2O3/c1-15-7-10-5-6-16(8-10)14(17)11-3-2-4-12-13(11)19-9-18-12/h2-4,10,15H,5-9H2,1H3/t10-/m1/s1
InChIKeyXODJQHZDVJQRCC-SNVBAGLBSA-N
XLogP1.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzodioxol-4-yl-[(3S)-3-(3-methylbutoxy)pyrrolidin-1-yl]methanone
CID 95974654
2,3-dihydro-1,4-benzodioxin-5-yl-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746515
N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide
CID 119540740
(2-cyclohexyloxyphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125147466
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
1-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 119542097
(3-ethylthiophen-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263358
(2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204735
[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-(2-propylsulfonylphenyl)methanone
CID 124613094
[3-(methylaminomethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107024092
(2,4-dimethylphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540525
[3-[(dimethylamino)methyl]phenyl]-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612772

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-4-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-4-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 124613125) is 1,3-benzodioxol-4-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-4-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-4-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone is CNC[C@H]1CCN(C(=O)c2cccc3c2OCO3)C1.
What is the InChIKey of 1,3-benzodioxol-4-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is XODJQHZDVJQRCC-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-15-7-10-5-6-16(8-10)14(17)11-3-2-4-12-13(11)19-9-18-12/h2-4,10,15H,5-9H2,1H3/t10-/m1/s1.
What are the key properties of 1,3-benzodioxol-4-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
1,3-benzodioxol-4-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 262.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-4-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124613125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).