6-methyl-7,9-dihydro-6H-pyrano[3,4-e][1,3]benzoxazole

C11H11NO2 — CID 66806527

IUPAC6-methyl-7,9-dihydro-6H-pyrano[3,4-e][1,3]benzoxazole
SMILESCC1COCc2c1ccc1ocnc21
InChIInChI=1S/C11H11NO2/c1-7-4-13-5-9-8(7)2-3-10-11(9)12-6-14-10/h2-3,6-7H,4-5H2,1H3
InChIKeyGXQAQVQMDPMONU-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.46
Rot. Bonds

About 6-methyl-7,9-dihydro-6H-pyrano[3,4-e][1,3]benzoxazole

6-methyl-7,9-dihydro-6H-pyrano[3,4-e][1,3]benzoxazole (PubChem CID 66806527) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 6-methyl-7,9-dihydro-6H-pyrano[3,4-e][1,3]benzoxazole.

Molecular Properties

Compound Name6-methyl-7,9-dihydro-6H-pyrano[3,4-e][1,3]benzoxazole
PubChem CID66806527
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name6-methyl-7,9-dihydro-6H-pyrano[3,4-e][1,3]benzoxazole
SMILESCC1COCc2c1ccc1ocnc21
InChIInChI=1S/C11H11NO2/c1-7-4-13-5-9-8(7)2-3-10-11(9)12-6-14-10/h2-3,6-7H,4-5H2,1H3
InChIKeyGXQAQVQMDPMONU-UHFFFAOYSA-N
XLogP2.46
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Naphth[1,2-d]oxazole, 2-methyl-
CID 66555
(2-Benzooxazol-5-yl-ethyl)-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 10617854
N-[2-(7,8-dihydro-6H-cyclopenta[e][1,3]benzoxazol-8-yl)ethyl]propanamide
CID 10967169
5-Methylbenzoxazole
CID 2724970
7-Methyl-5-phenyl-5,6,8,9-tetrahydro-[1,3]oxazolo[5,4-h][3]benzazepine
CID 118711273
(6R,9S)-6-[(1S)-1,5-dimethylhex-4-enyl]-4,9-dimethyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzoxazole
CID 470319
(6R,9R)-9-methyl-6-[(2S)-6-methylhept-5-en-2-yl]-6,7,8,9-tetrahydrobenzo[g][1,3]benzoxazole
CID 155521250
Seco-Pseudopteroxazole
CID 10614977
Trimethylbenzoxazole
CID 54244945
Oxazolophenanthrene
CID 3294335
Methyl 1,3-benzoxazole-4-carboxylate
CID 14616761
8-Methyl-6-phenyl-6,7,9,10-tetrahydro-[1,3]oxazolo[4,5-g][3]benzazepine
CID 44212069

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7,9-dihydro-6H-pyrano[3,4-e][1,3]benzoxazole?
The IUPAC name of 6-methyl-7,9-dihydro-6H-pyrano[3,4-e][1,3]benzoxazole (CID 66806527) is 6-methyl-7,9-dihydro-6H-pyrano[3,4-e][1,3]benzoxazole.
What is the SMILES notation for 6-methyl-7,9-dihydro-6H-pyrano[3,4-e][1,3]benzoxazole?
The canonical SMILES for 6-methyl-7,9-dihydro-6H-pyrano[3,4-e][1,3]benzoxazole is CC1COCc2c1ccc1ocnc21.
What is the InChIKey of 6-methyl-7,9-dihydro-6H-pyrano[3,4-e][1,3]benzoxazole?
The InChIKey is GXQAQVQMDPMONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-4-13-5-9-8(7)2-3-10-11(9)12-6-14-10/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 6-methyl-7,9-dihydro-6H-pyrano[3,4-e][1,3]benzoxazole?
6-methyl-7,9-dihydro-6H-pyrano[3,4-e][1,3]benzoxazole has a molecular weight of 189.21 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7,9-dihydro-6H-pyrano[3,4-e][1,3]benzoxazole is sourced from PubChem (CID 66806527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).