4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine

C10H13NO — CID 145146517

IUPAC4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine
SMILESCN1CCOC2=CC3CC3C=C21
InChIInChI=1S/C10H13NO/c1-11-2-3-12-10-6-8-4-7(8)5-9(10)11/h5-8H,2-4H2,1H3
InChIKeyJFQRFNICNHXELB-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.37
Rot. Bonds

About 4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine

4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine (PubChem CID 145146517) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine.

Molecular Properties

Compound Name4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine
PubChem CID145146517
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine
SMILESCN1CCOC2=CC3CC3C=C21
InChIInChI=1S/C10H13NO/c1-11-2-3-12-10-6-8-4-7(8)5-9(10)11/h5-8H,2-4H2,1H3
InChIKeyJFQRFNICNHXELB-UHFFFAOYSA-N
XLogP1.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine?
The IUPAC name of 4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine (CID 145146517) is 4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine.
What is the SMILES notation for 4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine?
The canonical SMILES for 4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine is CN1CCOC2=CC3CC3C=C21.
What is the InChIKey of 4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine?
The InChIKey is JFQRFNICNHXELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-11-2-3-12-10-6-8-4-7(8)5-9(10)11/h5-8H,2-4H2,1H3.
What are the key properties of 4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine?
4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine has a molecular weight of 163.22 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine is sourced from PubChem (CID 145146517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).