7-amino-3-prop-2-enyl-1,3-benzoxazol-2-one

C10H10N2O2 — CID 28802572

IUPAC7-amino-3-prop-2-enyl-1,3-benzoxazol-2-one
SMILESC=CCn1c(=O)oc2c(N)cccc21
InChIInChI=1S/C10H10N2O2/c1-2-6-12-8-5-3-4-7(11)9(8)14-10(12)13/h2-5H,1,6,11H2
InChIKeyRNFCYRLVDANBGU-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.36
Rot. Bonds2

About 7-amino-3-prop-2-enyl-1,3-benzoxazol-2-one

7-amino-3-prop-2-enyl-1,3-benzoxazol-2-one (PubChem CID 28802572) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 7-amino-3-prop-2-enyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-amino-3-prop-2-enyl-1,3-benzoxazol-2-one
PubChem CID28802572
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name7-amino-3-prop-2-enyl-1,3-benzoxazol-2-one
SMILESC=CCn1c(=O)oc2c(N)cccc21
InChIInChI=1S/C10H10N2O2/c1-2-6-12-8-5-3-4-7(11)9(8)14-10(12)13/h2-5H,1,6,11H2
InChIKeyRNFCYRLVDANBGU-UHFFFAOYSA-N
XLogP1.36
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.36
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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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-prop-2-enyl-1,3-benzoxazol-2-one?
The IUPAC name of 7-amino-3-prop-2-enyl-1,3-benzoxazol-2-one (CID 28802572) is 7-amino-3-prop-2-enyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-amino-3-prop-2-enyl-1,3-benzoxazol-2-one?
The canonical SMILES for 7-amino-3-prop-2-enyl-1,3-benzoxazol-2-one is C=CCn1c(=O)oc2c(N)cccc21.
What is the InChIKey of 7-amino-3-prop-2-enyl-1,3-benzoxazol-2-one?
The InChIKey is RNFCYRLVDANBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-6-12-8-5-3-4-7(11)9(8)14-10(12)13/h2-5H,1,6,11H2.
What are the key properties of 7-amino-3-prop-2-enyl-1,3-benzoxazol-2-one?
7-amino-3-prop-2-enyl-1,3-benzoxazol-2-one has a molecular weight of 190.20 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-prop-2-enyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 28802572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).