6-methyl-3-prop-2-enyl-1,3-benzoxazol-2-one

C11H11NO2 — CID 73054095

IUPAC6-methyl-3-prop-2-enyl-1,3-benzoxazol-2-one
SMILESC=CCn1c(=O)oc2cc(C)ccc21
InChIInChI=1S/C11H11NO2/c1-3-6-12-9-5-4-8(2)7-10(9)14-11(12)13/h3-5,7H,1,6H2,2H3
InChIKeyHOFWXRHVVLPPBO-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.09
Rot. Bonds2

About 6-methyl-3-prop-2-enyl-1,3-benzoxazol-2-one

6-methyl-3-prop-2-enyl-1,3-benzoxazol-2-one (PubChem CID 73054095) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 6-methyl-3-prop-2-enyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-methyl-3-prop-2-enyl-1,3-benzoxazol-2-one
PubChem CID73054095
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name6-methyl-3-prop-2-enyl-1,3-benzoxazol-2-one
SMILESC=CCn1c(=O)oc2cc(C)ccc21
InChIInChI=1S/C11H11NO2/c1-3-6-12-9-5-4-8(2)7-10(9)14-11(12)13/h3-5,7H,1,6H2,2H3
InChIKeyHOFWXRHVVLPPBO-UHFFFAOYSA-N
XLogP2.09
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(aminomethyl)-3-prop-2-enyl-1,3-benzoxazol-2-one
CID 82506628
1-(3-methylphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea
CID 50820812
3-(2-aminoethyl)-6-methyl-1,3-benzoxazol-2-one
CID 54013052
3-(3-hydroxypropyl)-6-methyl-1,3-benzoxazol-2-one
CID 82344647
1-(3-fluoro-4-methylphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea
CID 50797234
N-(2,4-dimethylphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide
CID 53067289
1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea
CID 50797317
1-(5-chloro-2-methylphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea
CID 50797153
sodium 8-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)octanoate
CID 70523195
1-[(7-methyl-2-oxochromen-4-yl)methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 18290113
1-[(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)amino]cyclohexane-1-carbonitrile
CID 129224738
6-amino-3-[(2,4-dimethylphenyl)methyl]-1,3-benzoxazol-2-one
CID 82092548

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-prop-2-enyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-methyl-3-prop-2-enyl-1,3-benzoxazol-2-one (CID 73054095) is 6-methyl-3-prop-2-enyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-methyl-3-prop-2-enyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-methyl-3-prop-2-enyl-1,3-benzoxazol-2-one is C=CCn1c(=O)oc2cc(C)ccc21.
What is the InChIKey of 6-methyl-3-prop-2-enyl-1,3-benzoxazol-2-one?
The InChIKey is HOFWXRHVVLPPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-3-6-12-9-5-4-8(2)7-10(9)14-11(12)13/h3-5,7H,1,6H2,2H3.
What are the key properties of 6-methyl-3-prop-2-enyl-1,3-benzoxazol-2-one?
6-methyl-3-prop-2-enyl-1,3-benzoxazol-2-one has a molecular weight of 189.21 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-prop-2-enyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 73054095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).