2-prop-1-en-2-yl-6H-1,3-benzoxazol-7-one

C10H9NO2 — CID 67873136

IUPAC2-prop-1-en-2-yl-6H-1,3-benzoxazol-7-one
SMILESC=C(C)c1nc2c(o1)C(=O)CC=C2
InChIInChI=1S/C10H9NO2/c1-6(2)10-11-7-4-3-5-8(12)9(7)13-10/h3-4H,1,5H2,2H3
InChIKeyIQUAPDKDJBALOR-UHFFFAOYSA-N
MW175.19 g/mol
LogP2.31
Rot. Bonds1

About 2-prop-1-en-2-yl-6H-1,3-benzoxazol-7-one

2-prop-1-en-2-yl-6H-1,3-benzoxazol-7-one (PubChem CID 67873136) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-prop-1-en-2-yl-6H-1,3-benzoxazol-7-one.

Molecular Properties

Compound Name2-prop-1-en-2-yl-6H-1,3-benzoxazol-7-one
PubChem CID67873136
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name2-prop-1-en-2-yl-6H-1,3-benzoxazol-7-one
SMILESC=C(C)c1nc2c(o1)C(=O)CC=C2
InChIInChI=1S/C10H9NO2/c1-6(2)10-11-7-4-3-5-8(12)9(7)13-10/h3-4H,1,5H2,2H3
InChIKeyIQUAPDKDJBALOR-UHFFFAOYSA-N
XLogP2.31
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-yl-6H-1,3-benzoxazol-7-one?
The IUPAC name of 2-prop-1-en-2-yl-6H-1,3-benzoxazol-7-one (CID 67873136) is 2-prop-1-en-2-yl-6H-1,3-benzoxazol-7-one.
What is the SMILES notation for 2-prop-1-en-2-yl-6H-1,3-benzoxazol-7-one?
The canonical SMILES for 2-prop-1-en-2-yl-6H-1,3-benzoxazol-7-one is C=C(C)c1nc2c(o1)C(=O)CC=C2.
What is the InChIKey of 2-prop-1-en-2-yl-6H-1,3-benzoxazol-7-one?
The InChIKey is IQUAPDKDJBALOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-6(2)10-11-7-4-3-5-8(12)9(7)13-10/h3-4H,1,5H2,2H3.
What are the key properties of 2-prop-1-en-2-yl-6H-1,3-benzoxazol-7-one?
2-prop-1-en-2-yl-6H-1,3-benzoxazol-7-one has a molecular weight of 175.19 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yl-6H-1,3-benzoxazol-7-one is sourced from PubChem (CID 67873136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).