2-[1-(aminomethyl)cyclobutyl]-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone

C15H19NO2 — CID 114748033

IUPAC2-[1-(aminomethyl)cyclobutyl]-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
SMILESNCC1(CC(=O)c2cccc3c2OCC3)CCC1
InChIInChI=1S/C15H19NO2/c16-10-15(6-2-7-15)9-13(17)12-4-1-3-11-5-8-18-14(11)12/h1,3-4H,2,5-10,16H2
InChIKeyPYAKKYIIUYLWNZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.32
Rot. Bonds4

About 2-[1-(aminomethyl)cyclobutyl]-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone

2-[1-(aminomethyl)cyclobutyl]-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone (PubChem CID 114748033) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
PubChem CID114748033
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
SMILESNCC1(CC(=O)c2cccc3c2OCC3)CCC1
InChIInChI=1S/C15H19NO2/c16-10-15(6-2-7-15)9-13(17)12-4-1-3-11-5-8-18-14(11)12/h1,3-4H,2,5-10,16H2
InChIKeyPYAKKYIIUYLWNZ-UHFFFAOYSA-N
XLogP2.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclohexyl]-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114748039
2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 25002538
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone
CID 114744072
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone
CID 114747824
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-3-yl)ethanone
CID 114744367
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554
1-(2,3-dihydro-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-one
CID 114744273
2,3-dihydro-1-benzofuran-7-yl-(1-hydroxycycloheptyl)methanone
CID 103450262
1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 114747898
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone
CID 114744136
(4-aminooxan-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114748063

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone (CID 114748033) is 2-[1-(aminomethyl)cyclobutyl]-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone is NCC1(CC(=O)c2cccc3c2OCC3)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone?
The InChIKey is PYAKKYIIUYLWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c16-10-15(6-2-7-15)9-13(17)12-4-1-3-11-5-8-18-14(11)12/h1,3-4H,2,5-10,16H2.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone?
2-[1-(aminomethyl)cyclobutyl]-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone has a molecular weight of 245.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone is sourced from PubChem (CID 114748033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).