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

C12H19NO — CID 145146516

IUPACethane;4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine
SMILESCC.CN1CCOC2=CC3CC3C=C21
InChIInChI=1S/C10H13NO.C2H6/c1-11-2-3-12-10-6-8-4-7(8)5-9(10)11;1-2/h5-8H,2-4H2,1H3;1-2H3
InChIKeySCCTWIXCACUSNQ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.39
Rot. Bonds

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

ethane;4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine (PubChem CID 145146516) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is ethane;4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine.

Molecular Properties

Compound Nameethane;4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine
PubChem CID145146516
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Nameethane;4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine
SMILESCC.CN1CCOC2=CC3CC3C=C21
InChIInChI=1S/C10H13NO.C2H6/c1-11-2-3-12-10-6-8-4-7(8)5-9(10)11;1-2/h5-8H,2-4H2,1H3;1-2H3
InChIKeySCCTWIXCACUSNQ-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine?
The IUPAC name of ethane;4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine (CID 145146516) is ethane;4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine.
What is the SMILES notation for ethane;4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine?
The canonical SMILES for ethane;4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine is CC.CN1CCOC2=CC3CC3C=C21.
What is the InChIKey of ethane;4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine?
The InChIKey is SCCTWIXCACUSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C2H6/c1-11-2-3-12-10-6-8-4-7(8)5-9(10)11;1-2/h5-8H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine?
ethane;4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine has a molecular weight of 193.29 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine is sourced from PubChem (CID 145146516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).