(5R)-5-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazonan-2-one

C17H23NO3 — CID 138467701

IUPAC(5R)-5-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazonan-2-one
SMILESO=C1NC[C@@H](c2ccc3c(c2)CCC(O)C3)CCCCO1
InChIInChI=1S/C17H23NO3/c19-16-7-6-12-9-13(4-5-14(12)10-16)15-3-1-2-8-21-17(20)18-11-15/h4-5,9,15-16,19H,1-3,6-8,10-11H2,(H,18,20)/t15-,16?/m0/s1
InChIKeyXAMPITBNQLYVAK-VYRBHSGPSA-N
MW289.38 g/mol
LogP2.53
Rot. Bonds1

About (5R)-5-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazonan-2-one

(5R)-5-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazonan-2-one (PubChem CID 138467701) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (5R)-5-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazonan-2-one.

Molecular Properties

Compound Name(5R)-5-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazonan-2-one
PubChem CID138467701
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name(5R)-5-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazonan-2-one
SMILESO=C1NC[C@@H](c2ccc3c(c2)CCC(O)C3)CCCCO1
InChIInChI=1S/C17H23NO3/c19-16-7-6-12-9-13(4-5-14(12)10-16)15-3-1-2-8-21-17(20)18-11-15/h4-5,9,15-16,19H,1-3,6-8,10-11H2,(H,18,20)/t15-,16?/m0/s1
InChIKeyXAMPITBNQLYVAK-VYRBHSGPSA-N
XLogP2.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazonan-2-one?
The IUPAC name of (5R)-5-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazonan-2-one (CID 138467701) is (5R)-5-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazonan-2-one.
What is the SMILES notation for (5R)-5-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazonan-2-one?
The canonical SMILES for (5R)-5-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazonan-2-one is O=C1NC[C@@H](c2ccc3c(c2)CCC(O)C3)CCCCO1.
What is the InChIKey of (5R)-5-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazonan-2-one?
The InChIKey is XAMPITBNQLYVAK-VYRBHSGPSA-N. The full InChI is InChI=1S/C17H23NO3/c19-16-7-6-12-9-13(4-5-14(12)10-16)15-3-1-2-8-21-17(20)18-11-15/h4-5,9,15-16,19H,1-3,6-8,10-11H2,(H,18,20)/t15-,16?/m0/s1.
What are the key properties of (5R)-5-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazonan-2-one?
(5R)-5-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazonan-2-one has a molecular weight of 289.38 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazonan-2-one is sourced from PubChem (CID 138467701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).