[3-(aminomethyl)pyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone

C14H18N2O2 — CID 62061970

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
SMILESNCC1CCN(C(=O)C2Cc3ccccc3O2)C1
InChIInChI=1S/C14H18N2O2/c15-8-10-5-6-16(9-10)14(17)13-7-11-3-1-2-4-12(11)18-13/h1-4,10,13H,5-9,15H2
InChIKeyVUERKXNXBHQUHK-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.80
Rot. Bonds2

About [3-(aminomethyl)pyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone

[3-(aminomethyl)pyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone (PubChem CID 62061970) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
PubChem CID62061970
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
SMILESNCC1CCN(C(=O)C2Cc3ccccc3O2)C1
InChIInChI=1S/C14H18N2O2/c15-8-10-5-6-16(9-10)14(17)13-7-11-3-1-2-4-12(11)18-13/h1-4,10,13H,5-9,15H2
InChIKeyVUERKXNXBHQUHK-UHFFFAOYSA-N
XLogP0.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone;hydrochloride
CID 119934449
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 125134561
2,3-dihydro-1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545517
2,3-dihydro-1-benzofuran-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646983
[(3R)-3-(aminomethyl)piperidin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 86325084
2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
CID 2842480
propan-2-yl 2-[(3S)-1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-3-yl]acetate
CID 124617317
2,3-dihydro-1-benzofuran-2-yl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996147
N-[[(3S)-1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 95280258
1-(2,3-dihydro-1-benzofuran-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041903
[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 51238687
[4-(5-aminopentyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
CID 168813718

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone (CID 62061970) is [3-(aminomethyl)pyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone is NCC1CCN(C(=O)C2Cc3ccccc3O2)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone?
The InChIKey is VUERKXNXBHQUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-8-10-5-6-16(9-10)14(17)13-7-11-3-1-2-4-12(11)18-13/h1-4,10,13H,5-9,15H2.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone has a molecular weight of 246.31 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 62061970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).