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

C16H21NO3 — CID 114744266

IUPAC2,3-dihydro-1-benzofuran-7-yl-(4-propylmorpholin-2-yl)methanone
SMILESCCCN1CCOC(C(=O)c2cccc3c2OCC3)C1
InChIInChI=1S/C16H21NO3/c1-2-7-17-8-10-19-14(11-17)15(18)13-5-3-4-12-6-9-20-16(12)13/h3-5,14H,2,6-11H2,1H3
InChIKeyVCXXHCLENMXFNI-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.91
Rot. Bonds4

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

2,3-dihydro-1-benzofuran-7-yl-(4-propylmorpholin-2-yl)methanone (PubChem CID 114744266) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-(4-propylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(4-propylmorpholin-2-yl)methanone
PubChem CID114744266
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(4-propylmorpholin-2-yl)methanone
SMILESCCCN1CCOC(C(=O)c2cccc3c2OCC3)C1
InChIInChI=1S/C16H21NO3/c1-2-7-17-8-10-19-14(11-17)15(18)13-5-3-4-12-6-9-20-16(12)13/h3-5,14H,2,6-11H2,1H3
InChIKeyVCXXHCLENMXFNI-UHFFFAOYSA-N
XLogP1.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(4-propylmorpholin-2-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(4-propylmorpholin-2-yl)methanone (CID 114744266) is 2,3-dihydro-1-benzofuran-7-yl-(4-propylmorpholin-2-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(4-propylmorpholin-2-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(4-propylmorpholin-2-yl)methanone is CCCN1CCOC(C(=O)c2cccc3c2OCC3)C1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(4-propylmorpholin-2-yl)methanone?
The InChIKey is VCXXHCLENMXFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-7-17-8-10-19-14(11-17)15(18)13-5-3-4-12-6-9-20-16(12)13/h3-5,14H,2,6-11H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(4-propylmorpholin-2-yl)methanone?
2,3-dihydro-1-benzofuran-7-yl-(4-propylmorpholin-2-yl)methanone has a molecular weight of 275.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl-(4-propylmorpholin-2-yl)methanone is sourced from PubChem (CID 114744266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).