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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Related Compounds

6-chloro-3-methyl-1,3-benzoxazol-2-one
CID 843790
6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 28913193
6-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 79411361
methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamothioic S-acid
CID 115169878
6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932265
3-methyl-6-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-1,3-benzoxazol-2-one
CID 28815458
6-(3-hydroxyazetidin-1-yl)sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 55178205
3-methyl-6-(2-oxo-3H-1,3-thiazol-4-yl)-1,3-benzoxazol-2-one
CID 116966116
6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 116896986
6-(diazenylmethyl)-3-methyl-1,3-benzoxazol-2-one
CID 89345926
ethyl 2-(aminomethyl)-6-(cyclohexen-1-yl)-1-methylindole-3-carboxylate
CID 163883095
3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide
CID 666515

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).