7-cyclopropyl-3-methyl-1,3-benzoxazol-2-one

C11H11NO2 — CID 121357219

IUPAC7-cyclopropyl-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2c(C3CC3)cccc21
InChIInChI=1S/C11H11NO2/c1-12-9-4-2-3-8(7-5-6-7)10(9)14-11(12)13/h2-4,7H,5-6H2,1H3
InChIKeyCRCNNMHUCXSHBW-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.01
Rot. Bonds1

About 7-cyclopropyl-3-methyl-1,3-benzoxazol-2-one

7-cyclopropyl-3-methyl-1,3-benzoxazol-2-one (PubChem CID 121357219) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 7-cyclopropyl-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-cyclopropyl-3-methyl-1,3-benzoxazol-2-one
PubChem CID121357219
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name7-cyclopropyl-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2c(C3CC3)cccc21
InChIInChI=1S/C11H11NO2/c1-12-9-4-2-3-8(7-5-6-7)10(9)14-11(12)13/h2-4,7H,5-6H2,1H3
InChIKeyCRCNNMHUCXSHBW-UHFFFAOYSA-N
XLogP2.01
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 7-cyclopropyl-3-methyl-1,3-benzoxazol-2-one (CID 121357219) is 7-cyclopropyl-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-cyclopropyl-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 7-cyclopropyl-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2c(C3CC3)cccc21.
What is the InChIKey of 7-cyclopropyl-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is CRCNNMHUCXSHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-12-9-4-2-3-8(7-5-6-7)10(9)14-11(12)13/h2-4,7H,5-6H2,1H3.
What are the key properties of 7-cyclopropyl-3-methyl-1,3-benzoxazol-2-one?
7-cyclopropyl-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 189.21 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 121357219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).