(4R)-4-(5-methylfuran-2-yl)-1,3-oxazinan-2-one

C9H11NO3 — CID 130804717

IUPAC(4R)-4-(5-methylfuran-2-yl)-1,3-oxazinan-2-one
SMILESCc1ccc([C@H]2CCOC(=O)N2)o1
InChIInChI=1S/C9H11NO3/c1-6-2-3-8(13-6)7-4-5-12-9(11)10-7/h2-3,7H,4-5H2,1H3,(H,10,11)/t7-/m1/s1
InChIKeyYGOXEIIUOXAQIO-SSDOTTSWSA-N
MW181.19 g/mol
LogP1.76
Rot. Bonds1

About (4R)-4-(5-methylfuran-2-yl)-1,3-oxazinan-2-one

(4R)-4-(5-methylfuran-2-yl)-1,3-oxazinan-2-one (PubChem CID 130804717) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (4R)-4-(5-methylfuran-2-yl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-(5-methylfuran-2-yl)-1,3-oxazinan-2-one
PubChem CID130804717
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(4R)-4-(5-methylfuran-2-yl)-1,3-oxazinan-2-one
SMILESCc1ccc([C@H]2CCOC(=O)N2)o1
InChIInChI=1S/C9H11NO3/c1-6-2-3-8(13-6)7-4-5-12-9(11)10-7/h2-3,7H,4-5H2,1H3,(H,10,11)/t7-/m1/s1
InChIKeyYGOXEIIUOXAQIO-SSDOTTSWSA-N
XLogP1.76
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(5-methylfuran-2-yl)-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-(5-methylfuran-2-yl)-1,3-oxazinan-2-one (CID 130804717) is (4R)-4-(5-methylfuran-2-yl)-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-(5-methylfuran-2-yl)-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-(5-methylfuran-2-yl)-1,3-oxazinan-2-one is Cc1ccc([C@H]2CCOC(=O)N2)o1.
What is the InChIKey of (4R)-4-(5-methylfuran-2-yl)-1,3-oxazinan-2-one?
The InChIKey is YGOXEIIUOXAQIO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-2-3-8(13-6)7-4-5-12-9(11)10-7/h2-3,7H,4-5H2,1H3,(H,10,11)/t7-/m1/s1.
What are the key properties of (4R)-4-(5-methylfuran-2-yl)-1,3-oxazinan-2-one?
(4R)-4-(5-methylfuran-2-yl)-1,3-oxazinan-2-one has a molecular weight of 181.19 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(5-methylfuran-2-yl)-1,3-oxazinan-2-one is sourced from PubChem (CID 130804717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).