5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one

C11H11NO2 — CID 155726920

IUPAC5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one
SMILESC/C=C/c1cc2oc(=O)[nH]c2cc1C
InChIInChI=1S/C11H11NO2/c1-3-4-8-6-10-9(5-7(8)2)12-11(13)14-10/h3-6H,1-2H3,(H,12,13)/b4-3+
InChIKeyZOSODSDTXRXZBU-ONEGZZNKSA-N
MW189.21 g/mol
LogP2.46
Rot. Bonds1

About 5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one

5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one (PubChem CID 155726920) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one
PubChem CID155726920
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one
SMILESC/C=C/c1cc2oc(=O)[nH]c2cc1C
InChIInChI=1S/C11H11NO2/c1-3-4-8-6-10-9(5-7(8)2)12-11(13)14-10/h3-6H,1-2H3,(H,12,13)/b4-3+
InChIKeyZOSODSDTXRXZBU-ONEGZZNKSA-N
XLogP2.46
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
CID 102579895
1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane
CID 142173958
5,6-difluoro-3H-1,3-benzoxazol-2-one
CID 11535637
6-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methyl-3H-1,3-benzoxazol-2-one
CID 110210650
6,7,7-trimethyl-3H-pyrrolo[2,3-f][1,3]benzoxazol-2-one
CID 121015992
6-(4-acetylpiperazin-1-yl)sulfonyl-5-methyl-3H-1,3-benzoxazol-2-one
CID 100830319
(E)-2-[2,5-dimethyl-4-[(E)-prop-1-enyl]phenyl]ethenol
CID 143980341
6-methylsulfanyl-3H-1,3-benzoxazol-2-one
CID 130992219
5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one
CID 171035252
6-chloro-5-fluoro-3H-1,3-benzoxazol-2-one
CID 58343933
5-(2,5-dimethylphenyl)-3H-1,3-benzoxazol-2-one
CID 82084268
2,2-dimethyl-3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanoic acid
CID 116918130

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one (CID 155726920) is 5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one is C/C=C/c1cc2oc(=O)[nH]c2cc1C.
What is the InChIKey of 5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is ZOSODSDTXRXZBU-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H11NO2/c1-3-4-8-6-10-9(5-7(8)2)12-11(13)14-10/h3-6H,1-2H3,(H,12,13)/b4-3+.
What are the key properties of 5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one?
5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 189.21 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 155726920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).