7-amino-3-(2-methylprop-2-enyl)-1,3-benzoxazol-2-one

C11H12N2O2 — CID 28802580

IUPAC7-amino-3-(2-methylprop-2-enyl)-1,3-benzoxazol-2-one
SMILESC=C(C)Cn1c(=O)oc2c(N)cccc21
InChIInChI=1S/C11H12N2O2/c1-7(2)6-13-9-5-3-4-8(12)10(9)15-11(13)14/h3-5H,1,6,12H2,2H3
InChIKeyNCJGOYFOKGDLRC-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.75
Rot. Bonds2

About 7-amino-3-(2-methylprop-2-enyl)-1,3-benzoxazol-2-one

7-amino-3-(2-methylprop-2-enyl)-1,3-benzoxazol-2-one (PubChem CID 28802580) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 7-amino-3-(2-methylprop-2-enyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-amino-3-(2-methylprop-2-enyl)-1,3-benzoxazol-2-one
PubChem CID28802580
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name7-amino-3-(2-methylprop-2-enyl)-1,3-benzoxazol-2-one
SMILESC=C(C)Cn1c(=O)oc2c(N)cccc21
InChIInChI=1S/C11H12N2O2/c1-7(2)6-13-9-5-3-4-8(12)10(9)15-11(13)14/h3-5H,1,6,12H2,2H3
InChIKeyNCJGOYFOKGDLRC-UHFFFAOYSA-N
XLogP1.75
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-3-prop-2-enyl-1,3-benzoxazol-2-one
CID 28802572
2-cyclohexyl-1-(2-methylprop-2-enyl)benzimidazol-4-amine
CID 82067737
1-(2-methylprop-2-enyl)-2-pyridin-3-ylbenzimidazol-4-amine
CID 82068147
7-amino-3-(2,4-dimethylfuran-3-carbonyl)-1,3-benzoxazol-2-one
CID 112522716
1,6-bis(2-methylprop-2-enyl)pyridin-2-one
CID 122202827
8-amino-2-methyl-4-(2-methylprop-2-enyl)-1,4-benzoxazin-3-one
CID 82018886
methyl N-[2-[2-(7-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112522812
methyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 82345280
3-[[4-(7-amino-2-oxo-1,3-benzoxazole-3-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea
CID 112522804
5-amino-4-(2-methylprop-2-enyl)-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82346244
2-methyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 61262096
3-[2-[(tert-butylamino)methyl]prop-2-enyl]-1,3-benzoxazol-2-one
CID 103071721

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-(2-methylprop-2-enyl)-1,3-benzoxazol-2-one?
The IUPAC name of 7-amino-3-(2-methylprop-2-enyl)-1,3-benzoxazol-2-one (CID 28802580) is 7-amino-3-(2-methylprop-2-enyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-amino-3-(2-methylprop-2-enyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 7-amino-3-(2-methylprop-2-enyl)-1,3-benzoxazol-2-one is C=C(C)Cn1c(=O)oc2c(N)cccc21.
What is the InChIKey of 7-amino-3-(2-methylprop-2-enyl)-1,3-benzoxazol-2-one?
The InChIKey is NCJGOYFOKGDLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7(2)6-13-9-5-3-4-8(12)10(9)15-11(13)14/h3-5H,1,6,12H2,2H3.
What are the key properties of 7-amino-3-(2-methylprop-2-enyl)-1,3-benzoxazol-2-one?
7-amino-3-(2-methylprop-2-enyl)-1,3-benzoxazol-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-(2-methylprop-2-enyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 28802580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).