4-methylpyrano[2,3-e][1,2]benzoxazol-2-one

C11H7NO3 — CID 72698172

IUPAC4-methylpyrano[2,3-e][1,2]benzoxazol-2-one
SMILESCc1cc(=O)oc2c1ccc1oncc12
InChIInChI=1S/C11H7NO3/c1-6-4-10(13)14-11-7(6)2-3-9-8(11)5-12-15-9/h2-5H,1H3
InChIKeyUENYVGGCAGGQJP-UHFFFAOYSA-N
MW201.18 g/mol
LogP2.24
Rot. Bonds

About 4-methylpyrano[2,3-e][1,2]benzoxazol-2-one

4-methylpyrano[2,3-e][1,2]benzoxazol-2-one (PubChem CID 72698172) has the molecular formula C11H7NO3 and a molecular weight of 201.18 g/mol. Its IUPAC name is 4-methylpyrano[2,3-e][1,2]benzoxazol-2-one.

Molecular Properties

Compound Name4-methylpyrano[2,3-e][1,2]benzoxazol-2-one
PubChem CID72698172
Molecular FormulaC11H7NO3
Molecular Weight201.18 g/mol
Exact Mass201.04
IUPAC Name4-methylpyrano[2,3-e][1,2]benzoxazol-2-one
SMILESCc1cc(=O)oc2c1ccc1oncc12
InChIInChI=1S/C11H7NO3/c1-6-4-10(13)14-11-7(6)2-3-9-8(11)5-12-15-9/h2-5H,1H3
InChIKeyUENYVGGCAGGQJP-UHFFFAOYSA-N
XLogP2.24
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 52.24
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-[(1S)-5-[3-(1,2-benzoxazol-6-yloxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24776383
5-(5-Ethyl-2-hydroxy-4-methoxyphenyl)-4-(4-methoxyphenyl)isoxazole
CID 927908
6-Methoxy-3-phenylbenzo[d]isoxazole
CID 3286009
3-{4-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-propoxy]-phenyl}-propionic acid
CID 17894227
2-(4-(3-(3-Phenyl-7-propylbenzo[d]isoxazol-6-yloxy)propoxy)phenyl)acetic acid
CID 18702001
(E)-3-{4-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-propoxy]-phenyl}-acrylic acid
CID 44384407
12,12-Dimethyl-3,11,14-trioxa-15-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),5,8,13(17),15-hexaen-4-one
CID 793808
2-(3-Methoxy-5,7-dipropyl-benzo[d]isoxazol-6-yloxy)-2-methyl-propionic acid
CID 9902264
(3S)-3-ethoxy-3-[4-[(7-methyl-1,2-benzoxazol-3-yl)oxy]phenyl]propanoic acid
CID 122185450
3-{2-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-propoxy]-phenyl}-propionic acid
CID 44384408
5-(5-Ethyl-4-methoxy-2-phenylmethoxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazole
CID 11165931
4-Ethyl-2-[4-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-5-methoxyphenol
CID 135483631

Frequently Asked Questions

What is the IUPAC name of 4-methylpyrano[2,3-e][1,2]benzoxazol-2-one?
The IUPAC name of 4-methylpyrano[2,3-e][1,2]benzoxazol-2-one (CID 72698172) is 4-methylpyrano[2,3-e][1,2]benzoxazol-2-one.
What is the SMILES notation for 4-methylpyrano[2,3-e][1,2]benzoxazol-2-one?
The canonical SMILES for 4-methylpyrano[2,3-e][1,2]benzoxazol-2-one is Cc1cc(=O)oc2c1ccc1oncc12.
What is the InChIKey of 4-methylpyrano[2,3-e][1,2]benzoxazol-2-one?
The InChIKey is UENYVGGCAGGQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO3/c1-6-4-10(13)14-11-7(6)2-3-9-8(11)5-12-15-9/h2-5H,1H3.
What are the key properties of 4-methylpyrano[2,3-e][1,2]benzoxazol-2-one?
4-methylpyrano[2,3-e][1,2]benzoxazol-2-one has a molecular weight of 201.18 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyrano[2,3-e][1,2]benzoxazol-2-one is sourced from PubChem (CID 72698172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).