(5E)-5-ethylidene-3-methyl-6H-1,3-benzoxazol-2-one

C10H11NO2 — CID 163886084

IUPAC(5E)-5-ethylidene-3-methyl-6H-1,3-benzoxazol-2-one
SMILESC/C=C1/C=c2c(oc(=O)n2C)=CC1
InChIInChI=1S/C10H11NO2/c1-3-7-4-5-9-8(6-7)11(2)10(12)13-9/h3,5-6H,4H2,1-2H3/b7-3+
InChIKeyPXKMFQAHGSQGNO-XVNBXDOJSA-N
MW177.20 g/mol
LogP-0.11
Rot. Bonds

About (5E)-5-ethylidene-3-methyl-6H-1,3-benzoxazol-2-one

(5E)-5-ethylidene-3-methyl-6H-1,3-benzoxazol-2-one (PubChem CID 163886084) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (5E)-5-ethylidene-3-methyl-6H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name(5E)-5-ethylidene-3-methyl-6H-1,3-benzoxazol-2-one
PubChem CID163886084
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(5E)-5-ethylidene-3-methyl-6H-1,3-benzoxazol-2-one
SMILESC/C=C1/C=c2c(oc(=O)n2C)=CC1
InChIInChI=1S/C10H11NO2/c1-3-7-4-5-9-8(6-7)11(2)10(12)13-9/h3,5-6H,4H2,1-2H3/b7-3+
InChIKeyPXKMFQAHGSQGNO-XVNBXDOJSA-N
XLogP-0.11
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-3-methyl-6H-1,3-benzoxazol-2-one?
The IUPAC name of (5E)-5-ethylidene-3-methyl-6H-1,3-benzoxazol-2-one (CID 163886084) is (5E)-5-ethylidene-3-methyl-6H-1,3-benzoxazol-2-one.
What is the SMILES notation for (5E)-5-ethylidene-3-methyl-6H-1,3-benzoxazol-2-one?
The canonical SMILES for (5E)-5-ethylidene-3-methyl-6H-1,3-benzoxazol-2-one is C/C=C1/C=c2c(oc(=O)n2C)=CC1.
What is the InChIKey of (5E)-5-ethylidene-3-methyl-6H-1,3-benzoxazol-2-one?
The InChIKey is PXKMFQAHGSQGNO-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H11NO2/c1-3-7-4-5-9-8(6-7)11(2)10(12)13-9/h3,5-6H,4H2,1-2H3/b7-3+.
What are the key properties of (5E)-5-ethylidene-3-methyl-6H-1,3-benzoxazol-2-one?
(5E)-5-ethylidene-3-methyl-6H-1,3-benzoxazol-2-one has a molecular weight of 177.20 g/mol, XLogP of -0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-3-methyl-6H-1,3-benzoxazol-2-one is sourced from PubChem (CID 163886084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).