2-methylbenzo[e][1,2]benzoxazol-1-one

C12H9NO2 — CID 11412966

IUPAC2-methylbenzo[e][1,2]benzoxazol-1-one
SMILESCn1oc2ccc3ccccc3c2c1=O
InChIInChI=1S/C12H9NO2/c1-13-12(14)11-9-5-3-2-4-8(9)6-7-10(11)15-13/h2-7H,1H3
InChIKeyCEHIMSOEWHOGSK-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.28
Rot. Bonds

About 2-methylbenzo[e][1,2]benzoxazol-1-one

2-methylbenzo[e][1,2]benzoxazol-1-one (PubChem CID 11412966) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-methylbenzo[e][1,2]benzoxazol-1-one.

Molecular Properties

Compound Name2-methylbenzo[e][1,2]benzoxazol-1-one
PubChem CID11412966
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name2-methylbenzo[e][1,2]benzoxazol-1-one
SMILESCn1oc2ccc3ccccc3c2c1=O
InChIInChI=1S/C12H9NO2/c1-13-12(14)11-9-5-3-2-4-8(9)6-7-10(11)15-13/h2-7H,1H3
InChIKeyCEHIMSOEWHOGSK-UHFFFAOYSA-N
XLogP2.28
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 58185057
12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;tungsten
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Frequently Asked Questions

What is the IUPAC name of 2-methylbenzo[e][1,2]benzoxazol-1-one?
The IUPAC name of 2-methylbenzo[e][1,2]benzoxazol-1-one (CID 11412966) is 2-methylbenzo[e][1,2]benzoxazol-1-one.
What is the SMILES notation for 2-methylbenzo[e][1,2]benzoxazol-1-one?
The canonical SMILES for 2-methylbenzo[e][1,2]benzoxazol-1-one is Cn1oc2ccc3ccccc3c2c1=O.
What is the InChIKey of 2-methylbenzo[e][1,2]benzoxazol-1-one?
The InChIKey is CEHIMSOEWHOGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c1-13-12(14)11-9-5-3-2-4-8(9)6-7-10(11)15-13/h2-7H,1H3.
What are the key properties of 2-methylbenzo[e][1,2]benzoxazol-1-one?
2-methylbenzo[e][1,2]benzoxazol-1-one has a molecular weight of 199.21 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzo[e][1,2]benzoxazol-1-one is sourced from PubChem (CID 11412966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).