(4-aminooxan-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

C14H17NO3 — CID 114748063

IUPAC(4-aminooxan-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESNC1(C(=O)c2cccc3c2OCC3)CCOCC1
InChIInChI=1S/C14H17NO3/c15-14(5-8-17-9-6-14)13(16)11-3-1-2-10-4-7-18-12(10)11/h1-3H,4-9,15H2
InChIKeyHALGKZIAXYRNPN-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.31
Rot. Bonds2

About (4-aminooxan-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

(4-aminooxan-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (PubChem CID 114748063) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (4-aminooxan-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.

Molecular Properties

Compound Name(4-aminooxan-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
PubChem CID114748063
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(4-aminooxan-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESNC1(C(=O)c2cccc3c2OCC3)CCOCC1
InChIInChI=1S/C14H17NO3/c15-14(5-8-17-9-6-14)13(16)11-3-1-2-10-4-7-18-12(10)11/h1-3H,4-9,15H2
InChIKeyHALGKZIAXYRNPN-UHFFFAOYSA-N
XLogP1.31
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1-benzofuran-7-yl-(1-hydroxycycloheptyl)methanone
CID 103450262
[1-(aminomethyl)cyclohexyl]-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114748039
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
2,3-dihydro-1-benzofuran-7-yl-(2-methylpyrrolidin-2-yl)methanone
CID 114747925
2-[1-(aminomethyl)cyclobutyl]-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 114748033
2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 25002538
(E)-1-(2,3-dihydro-1-benzofuran-7-yl)but-2-en-1-one
CID 103453398
2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
CID 114026900
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
(4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone
CID 116604624
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one
CID 115814227

Frequently Asked Questions

What is the IUPAC name of (4-aminooxan-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The IUPAC name of (4-aminooxan-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (CID 114748063) is (4-aminooxan-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.
What is the SMILES notation for (4-aminooxan-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The canonical SMILES for (4-aminooxan-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is NC1(C(=O)c2cccc3c2OCC3)CCOCC1.
What is the InChIKey of (4-aminooxan-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The InChIKey is HALGKZIAXYRNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c15-14(5-8-17-9-6-14)13(16)11-3-1-2-10-4-7-18-12(10)11/h1-3H,4-9,15H2.
What are the key properties of (4-aminooxan-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
(4-aminooxan-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone has a molecular weight of 247.29 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxan-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is sourced from PubChem (CID 114748063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).