5-methyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole

C9H11NO — CID 145057992

IUPAC5-methyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole
SMILESCC1C2C=C3NCOC3=CC12
InChIInChI=1S/C9H11NO/c1-5-6-2-8-9(3-7(5)6)11-4-10-8/h2-3,5-7,10H,4H2,1H3
InChIKeyHMCYNBMXEFLOON-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.23
Rot. Bonds

About 5-methyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole

5-methyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole (PubChem CID 145057992) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 5-methyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole.

Molecular Properties

Compound Name5-methyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole
PubChem CID145057992
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name5-methyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole
SMILESCC1C2C=C3NCOC3=CC12
InChIInChI=1S/C9H11NO/c1-5-6-2-8-9(3-7(5)6)11-4-10-8/h2-3,5-7,10H,4H2,1H3
InChIKeyHMCYNBMXEFLOON-UHFFFAOYSA-N
XLogP1.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole;ethane
CID 142381413
5-methyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole;molecular hydrogen
CID 145057991
5-Methyl-3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one;molecular hydrogen
CID 145267145
Ethane;2,3,5,6-tetrahydro-1,3-benzoxazole
CID 145267149
2,3,5,6-Tetrahydro-1,3-benzoxazole
CID 145267150
(4aS)-3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole
CID 163672161
3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole
CID 142381414
5-Methyl-3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one
CID 145267146

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole?
The IUPAC name of 5-methyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole (CID 145057992) is 5-methyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole.
What is the SMILES notation for 5-methyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole?
The canonical SMILES for 5-methyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole is CC1C2C=C3NCOC3=CC12.
What is the InChIKey of 5-methyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole?
The InChIKey is HMCYNBMXEFLOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-5-6-2-8-9(3-7(5)6)11-4-10-8/h2-3,5-7,10H,4H2,1H3.
What are the key properties of 5-methyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole?
5-methyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole has a molecular weight of 149.19 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole is sourced from PubChem (CID 145057992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).