2,3-dihydrofuran-5-yl(oxazinan-2-yl)methanone

C9H13NO3 — CID 130890941

IUPAC2,3-dihydrofuran-5-yl(oxazinan-2-yl)methanone
SMILESO=C(C1=CCCO1)N1CCCCO1
InChIInChI=1S/C9H13NO3/c11-9(8-4-3-6-12-8)10-5-1-2-7-13-10/h4H,1-3,5-7H2
InChIKeyACPLOMFNZZZSGC-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.84
Rot. Bonds1

About 2,3-dihydrofuran-5-yl(oxazinan-2-yl)methanone

2,3-dihydrofuran-5-yl(oxazinan-2-yl)methanone (PubChem CID 130890941) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl(oxazinan-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl(oxazinan-2-yl)methanone
PubChem CID130890941
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2,3-dihydrofuran-5-yl(oxazinan-2-yl)methanone
SMILESO=C(C1=CCCO1)N1CCCCO1
InChIInChI=1S/C9H13NO3/c11-9(8-4-3-6-12-8)10-5-1-2-7-13-10/h4H,1-3,5-7H2
InChIKeyACPLOMFNZZZSGC-UHFFFAOYSA-N
XLogP0.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl(oxazinan-2-yl)methanone?
The IUPAC name of 2,3-dihydrofuran-5-yl(oxazinan-2-yl)methanone (CID 130890941) is 2,3-dihydrofuran-5-yl(oxazinan-2-yl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-5-yl(oxazinan-2-yl)methanone?
The canonical SMILES for 2,3-dihydrofuran-5-yl(oxazinan-2-yl)methanone is O=C(C1=CCCO1)N1CCCCO1.
What is the InChIKey of 2,3-dihydrofuran-5-yl(oxazinan-2-yl)methanone?
The InChIKey is ACPLOMFNZZZSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-9(8-4-3-6-12-8)10-5-1-2-7-13-10/h4H,1-3,5-7H2.
What are the key properties of 2,3-dihydrofuran-5-yl(oxazinan-2-yl)methanone?
2,3-dihydrofuran-5-yl(oxazinan-2-yl)methanone has a molecular weight of 183.21 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-yl(oxazinan-2-yl)methanone is sourced from PubChem (CID 130890941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).