2-ethenyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one

C13H9NO3 — CID 134912214

IUPAC2-ethenyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
SMILESC=Cc1nc2ccc3c(C)cc(=O)oc3c2o1
InChIInChI=1S/C13H9NO3/c1-3-10-14-9-5-4-8-7(2)6-11(15)17-12(8)13(9)16-10/h3-6H,1H2,2H3
InChIKeyRMXIVTJPZBMBAA-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.89
Rot. Bonds1

About 2-ethenyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one

2-ethenyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one (PubChem CID 134912214) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-ethenyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one.

Molecular Properties

Compound Name2-ethenyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
PubChem CID134912214
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name2-ethenyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
SMILESC=Cc1nc2ccc3c(C)cc(=O)oc3c2o1
InChIInChI=1S/C13H9NO3/c1-3-10-14-9-5-4-8-7(2)6-11(15)17-12(8)13(9)16-10/h3-6H,1H2,2H3
InChIKeyRMXIVTJPZBMBAA-UHFFFAOYSA-N
XLogP2.89
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
CID 134912266
8,9-bis(ethenyl)-4-methyl-7H-pyrano[2,3-e]indol-2-one
CID 143912464
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
4-methyl-7,8-bis(prop-2-enoxy)chromen-2-one
CID 3998544
4-methylpyrano[2,3-f]chromene-2,8-dione
CID 13165001
8-iodo-4-methylchromen-2-one
CID 130067017
4-methyl-8-propan-2-yloxychromen-2-one
CID 144546530
4-methyl-8-propan-2-ylchromen-2-one
CID 71446036
17,18-dichloro-7-methyl-4-oxa-12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),6,9,13,15,17,19-nonaen-5-one
CID 102288339
4,10-dimethyl-9-morpholin-4-ylpyrano[2,3-f]cinnolin-2-one
CID 139233851
4-methyl-8-phenoxychromen-2-one
CID 86228952
4-methylpyrano[2,3-a]xanthene-2,12-dione
CID 13270680

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one?
The IUPAC name of 2-ethenyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one (CID 134912214) is 2-ethenyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one.
What is the SMILES notation for 2-ethenyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one?
The canonical SMILES for 2-ethenyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one is C=Cc1nc2ccc3c(C)cc(=O)oc3c2o1.
What is the InChIKey of 2-ethenyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one?
The InChIKey is RMXIVTJPZBMBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c1-3-10-14-9-5-4-8-7(2)6-11(15)17-12(8)13(9)16-10/h3-6H,1H2,2H3.
What are the key properties of 2-ethenyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one?
2-ethenyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one has a molecular weight of 227.22 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one is sourced from PubChem (CID 134912214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).