1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone

C15H18N2O2 — CID 63263992

IUPAC1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc3ccccc3o2)C1
InChIInChI=1S/C15H18N2O2/c1-16-9-11-6-7-17(10-11)15(18)14-8-12-4-2-3-5-13(12)19-14/h2-5,8,11,16H,6-7,9-10H2,1H3
InChIKeyJRYGILXWOIJJIC-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.11
Rot. Bonds3

About 1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone

1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 63263992) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID63263992
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc3ccccc3o2)C1
InChIInChI=1S/C15H18N2O2/c1-16-9-11-6-7-17(10-11)15(18)14-8-12-4-2-3-5-13(12)19-14/h2-5,8,11,16H,6-7,9-10H2,1H3
InChIKeyJRYGILXWOIJJIC-UHFFFAOYSA-N
XLogP2.11
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 62063378
(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537
(5,6-dimethyl-1-benzofuran-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612576
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277
1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 114683163
1-benzofuran-2-yl-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone
CID 154576332
1-benzofuran-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484568
(5,6-dimethyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395183
1-benzofuran-2-yl-(3-bromopiperidin-1-yl)methanone
CID 80660959
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 63263992) is 1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone is CNCC1CCN(C(=O)c2cc3ccccc3o2)C1.
What is the InChIKey of 1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is JRYGILXWOIJJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-16-9-11-6-7-17(10-11)15(18)14-8-12-4-2-3-5-13(12)19-14/h2-5,8,11,16H,6-7,9-10H2,1H3.
What are the key properties of 1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 258.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 63263992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).