6-(cyclohexen-1-yl)-3-methyl-1,3-benzoxazol-2-one

C14H15NO2 — CID 167568895

IUPAC6-(cyclohexen-1-yl)-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C3=CCCCC3)ccc21
InChIInChI=1S/C14H15NO2/c1-15-12-8-7-11(9-13(12)17-14(15)16)10-5-3-2-4-6-10/h5,7-9H,2-4,6H2,1H3
InChIKeyFQENQYOUJNRRKF-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.09
Rot. Bonds1

About 6-(cyclohexen-1-yl)-3-methyl-1,3-benzoxazol-2-one

6-(cyclohexen-1-yl)-3-methyl-1,3-benzoxazol-2-one (PubChem CID 167568895) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-(cyclohexen-1-yl)-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(cyclohexen-1-yl)-3-methyl-1,3-benzoxazol-2-one
PubChem CID167568895
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name6-(cyclohexen-1-yl)-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C3=CCCCC3)ccc21
InChIInChI=1S/C14H15NO2/c1-15-12-8-7-11(9-13(12)17-14(15)16)10-5-3-2-4-6-10/h5,7-9H,2-4,6H2,1H3
InChIKeyFQENQYOUJNRRKF-UHFFFAOYSA-N
XLogP3.09
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexen-1-yl)-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-(cyclohexen-1-yl)-3-methyl-1,3-benzoxazol-2-one (CID 167568895) is 6-(cyclohexen-1-yl)-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(cyclohexen-1-yl)-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(cyclohexen-1-yl)-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(C3=CCCCC3)ccc21.
What is the InChIKey of 6-(cyclohexen-1-yl)-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is FQENQYOUJNRRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-15-12-8-7-11(9-13(12)17-14(15)16)10-5-3-2-4-6-10/h5,7-9H,2-4,6H2,1H3.
What are the key properties of 6-(cyclohexen-1-yl)-3-methyl-1,3-benzoxazol-2-one?
6-(cyclohexen-1-yl)-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 229.28 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexen-1-yl)-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 167568895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).