(5R)-5-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one

C8H9NO2 — CID 89024034

IUPAC(5R)-5-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one
SMILESC[C@H]1C=c2[nH]c(=O)oc2=CC1
InChIInChI=1S/C8H9NO2/c1-5-2-3-7-6(4-5)9-8(10)11-7/h3-5H,2H2,1H3,(H,9,10)/t5-/m1/s1
InChIKeyGFHFXZJAUCJXCE-RXMQYKEDSA-N
MW151.16 g/mol
LogP-0.43
Rot. Bonds

About (5R)-5-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one

(5R)-5-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one (PubChem CID 89024034) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is (5R)-5-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name(5R)-5-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one
PubChem CID89024034
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name(5R)-5-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one
SMILESC[C@H]1C=c2[nH]c(=O)oc2=CC1
InChIInChI=1S/C8H9NO2/c1-5-2-3-7-6(4-5)9-8(10)11-7/h3-5H,2H2,1H3,(H,9,10)/t5-/m1/s1
InChIKeyGFHFXZJAUCJXCE-RXMQYKEDSA-N
XLogP-0.43
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one?
The IUPAC name of (5R)-5-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one (CID 89024034) is (5R)-5-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for (5R)-5-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one?
The canonical SMILES for (5R)-5-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one is C[C@H]1C=c2[nH]c(=O)oc2=CC1.
What is the InChIKey of (5R)-5-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one?
The InChIKey is GFHFXZJAUCJXCE-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H9NO2/c1-5-2-3-7-6(4-5)9-8(10)11-7/h3-5H,2H2,1H3,(H,9,10)/t5-/m1/s1.
What are the key properties of (5R)-5-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one?
(5R)-5-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one has a molecular weight of 151.16 g/mol, XLogP of -0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 89024034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).