3-cyclopentyl-6-methyl-1,3-benzoxazol-2-one

C13H15NO2 — CID 54073449

IUPAC3-cyclopentyl-6-methyl-1,3-benzoxazol-2-one
SMILESCc1ccc2c(c1)oc(=O)n2C1CCCC1
InChIInChI=1S/C13H15NO2/c1-9-6-7-11-12(8-9)16-13(15)14(11)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeyMIBDSLHRKPASNJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.02
Rot. Bonds1

About 3-cyclopentyl-6-methyl-1,3-benzoxazol-2-one

3-cyclopentyl-6-methyl-1,3-benzoxazol-2-one (PubChem CID 54073449) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-cyclopentyl-6-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-cyclopentyl-6-methyl-1,3-benzoxazol-2-one
PubChem CID54073449
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-cyclopentyl-6-methyl-1,3-benzoxazol-2-one
SMILESCc1ccc2c(c1)oc(=O)n2C1CCCC1
InChIInChI=1S/C13H15NO2/c1-9-6-7-11-12(8-9)16-13(15)14(11)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeyMIBDSLHRKPASNJ-UHFFFAOYSA-N
XLogP3.02
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-cyclopentyl-6-methyl-1,3-benzoxazol-2-one (CID 54073449) is 3-cyclopentyl-6-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-cyclopentyl-6-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-cyclopentyl-6-methyl-1,3-benzoxazol-2-one is Cc1ccc2c(c1)oc(=O)n2C1CCCC1.
What is the InChIKey of 3-cyclopentyl-6-methyl-1,3-benzoxazol-2-one?
The InChIKey is MIBDSLHRKPASNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-6-7-11-12(8-9)16-13(15)14(11)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3.
What are the key properties of 3-cyclopentyl-6-methyl-1,3-benzoxazol-2-one?
3-cyclopentyl-6-methyl-1,3-benzoxazol-2-one has a molecular weight of 217.27 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 54073449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).