(5-amino-1-benzofuran-2-yl)-(2-methylpyrrolidin-1-yl)methanone

C14H16N2O2 — CID 61101971

IUPAC(5-amino-1-benzofuran-2-yl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C14H16N2O2/c1-9-3-2-6-16(9)14(17)13-8-10-7-11(15)4-5-12(10)18-13/h4-5,7-9H,2-3,6,15H2,1H3
InChIKeyRYQBXOXEIVJEKN-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.64
Rot. Bonds1

About (5-amino-1-benzofuran-2-yl)-(2-methylpyrrolidin-1-yl)methanone

(5-amino-1-benzofuran-2-yl)-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 61101971) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (5-amino-1-benzofuran-2-yl)-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1-benzofuran-2-yl)-(2-methylpyrrolidin-1-yl)methanone
PubChem CID61101971
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(5-amino-1-benzofuran-2-yl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C14H16N2O2/c1-9-3-2-6-16(9)14(17)13-8-10-7-11(15)4-5-12(10)18-13/h4-5,7-9H,2-3,6,15H2,1H3
InChIKeyRYQBXOXEIVJEKN-UHFFFAOYSA-N
XLogP2.64
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(2-methylpiperidine-1-carbonyl)-1-benzofuran-5-sulfonamide
CID 91950582
(5-amino-1-benzofuran-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633745
(5-amino-1-benzofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114542490
(5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 63118391
(5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 60974941
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 66261699
(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119781055
(5-amino-1-benzofuran-2-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283899
(2R)-1-(5-bromo-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide
CID 95118501
methyl 1-(5-methyl-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxylate
CID 61219649
(5-amino-1-benzofuran-2-yl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954915
5-[(2,6-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295059

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-benzofuran-2-yl)-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-amino-1-benzofuran-2-yl)-(2-methylpyrrolidin-1-yl)methanone (CID 61101971) is (5-amino-1-benzofuran-2-yl)-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-amino-1-benzofuran-2-yl)-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-amino-1-benzofuran-2-yl)-(2-methylpyrrolidin-1-yl)methanone is CC1CCCN1C(=O)c1cc2cc(N)ccc2o1.
What is the InChIKey of (5-amino-1-benzofuran-2-yl)-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is RYQBXOXEIVJEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-3-2-6-16(9)14(17)13-8-10-7-11(15)4-5-12(10)18-13/h4-5,7-9H,2-3,6,15H2,1H3.
What are the key properties of (5-amino-1-benzofuran-2-yl)-(2-methylpyrrolidin-1-yl)methanone?
(5-amino-1-benzofuran-2-yl)-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 244.29 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-benzofuran-2-yl)-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 61101971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).