(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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Related Compounds

4-But-2-enylidene-3-methyl-5-(2-methylpentylidene)-1,3-oxazolidin-2-one
CID 123947762
3-Methyl-4-methylidene-5-pentan-3-ylidene-1,3-oxazolidin-2-one
CID 141769938
3,6-dimethyl-7H-cyclohepta[d][1,3]oxazol-2-one
CID 163863006
3-Methyl-5,6-dihydro-1,3-benzoxazol-2-one
CID 163865685
(4E,5E)-4-[(2Z,4E)-hexa-2,4-dienylidene]-3-methyl-5-propylidene-1,3-oxazolidin-2-one
CID 164028663
Ethane;3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one
CID 165131185
Ethane;3-methyl-5,6-dihydro-1,3-benzoxazol-2-one
CID 165131331
ethane;(4E,5E)-3-methyl-5-prop-2-enylidene-4-propylidene-1,3-oxazolidin-2-one
CID 171626922
ethane;(4E,5E)-3-methyl-5-prop-2-enylidene-4-propylidene-1,3-oxazolidin-2-one
CID 172591285
ethane;7-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one
CID 177065356
(4E)-3-methyl-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one
CID 178087607
3-Propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one
CID 165131186

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).