7-methyl-3H-1,3-benzoxazol-2-one;propane

C11H15NO2 — CID 142969733

IUPAC7-methyl-3H-1,3-benzoxazol-2-one;propane
SMILESCCC.Cc1cccc2[nH]c(=O)oc12
InChIInChI=1S/C8H7NO2.C3H8/c1-5-3-2-4-6-7(5)11-8(10)9-6;1-3-2/h2-4H,1H3,(H,9,10);3H2,1-2H3
InChIKeyXENCVRGTLNQZCE-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.85
Rot. Bonds

About 7-methyl-3H-1,3-benzoxazol-2-one;propane

7-methyl-3H-1,3-benzoxazol-2-one;propane (PubChem CID 142969733) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 7-methyl-3H-1,3-benzoxazol-2-one;propane.

Molecular Properties

Compound Name7-methyl-3H-1,3-benzoxazol-2-one;propane
PubChem CID142969733
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name7-methyl-3H-1,3-benzoxazol-2-one;propane
SMILESCCC.Cc1cccc2[nH]c(=O)oc12
InChIInChI=1S/C8H7NO2.C3H8/c1-5-3-2-4-6-7(5)11-8(10)9-6;1-3-2/h2-4H,1H3,(H,9,10);3H2,1-2H3
InChIKeyXENCVRGTLNQZCE-UHFFFAOYSA-N
XLogP2.85
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3H-1,3-benzoxazol-2-one;propane?
The IUPAC name of 7-methyl-3H-1,3-benzoxazol-2-one;propane (CID 142969733) is 7-methyl-3H-1,3-benzoxazol-2-one;propane.
What is the SMILES notation for 7-methyl-3H-1,3-benzoxazol-2-one;propane?
The canonical SMILES for 7-methyl-3H-1,3-benzoxazol-2-one;propane is CCC.Cc1cccc2[nH]c(=O)oc12.
What is the InChIKey of 7-methyl-3H-1,3-benzoxazol-2-one;propane?
The InChIKey is XENCVRGTLNQZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2.C3H8/c1-5-3-2-4-6-7(5)11-8(10)9-6;1-3-2/h2-4H,1H3,(H,9,10);3H2,1-2H3.
What are the key properties of 7-methyl-3H-1,3-benzoxazol-2-one;propane?
7-methyl-3H-1,3-benzoxazol-2-one;propane has a molecular weight of 193.25 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3H-1,3-benzoxazol-2-one;propane is sourced from PubChem (CID 142969733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).