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

C10H15NO — CID 142381413

IUPAC3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole;ethane
SMILESC1=C2NCOC2=CC2CC12.CC
InChIInChI=1S/C8H9NO.C2H6/c1-5-2-7-8(3-6(1)5)10-4-9-7;1-2/h2-3,5-6,9H,1,4H2;1-2H3
InChIKeyRUWYDOXPSNCSKU-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.01
Rot. Bonds

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

3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole;ethane (PubChem CID 142381413) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole;ethane.

Molecular Properties

Compound Name3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole;ethane
PubChem CID142381413
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole;ethane
SMILESC1=C2NCOC2=CC2CC12.CC
InChIInChI=1S/C8H9NO.C2H6/c1-5-2-7-8(3-6(1)5)10-4-9-7;1-2/h2-3,5-6,9H,1,4H2;1-2H3
InChIKeyRUWYDOXPSNCSKU-UHFFFAOYSA-N
XLogP2.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole;ethane?
The IUPAC name of 3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole;ethane (CID 142381413) is 3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole;ethane.
What is the SMILES notation for 3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole;ethane?
The canonical SMILES for 3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole;ethane is C1=C2NCOC2=CC2CC12.CC.
What is the InChIKey of 3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole;ethane?
The InChIKey is RUWYDOXPSNCSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C2H6/c1-5-2-7-8(3-6(1)5)10-4-9-7;1-2/h2-3,5-6,9H,1,4H2;1-2H3.
What are the key properties of 3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole;ethane?
3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole;ethane has a molecular weight of 165.24 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole;ethane is sourced from PubChem (CID 142381413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).