2-azabicyclo[3.1.0]hexa-1,3,5-triene;methanol

C6H7NO — CID 146306786

IUPAC2-azabicyclo[3.1.0]hexa-1,3,5-triene;methanol
SMILESCO.c1cc2cc-2n1
InChIInChI=1S/C5H3N.CH4O/c1-2-6-5-3-4(1)5;1-2/h1-3H;2H,1H3
InChIKeyVVOVMSFXESJXEZ-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.67
Rot. Bonds

About 2-azabicyclo[3.1.0]hexa-1,3,5-triene;methanol

2-azabicyclo[3.1.0]hexa-1,3,5-triene;methanol (PubChem CID 146306786) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 2-azabicyclo[3.1.0]hexa-1,3,5-triene;methanol.

Molecular Properties

Compound Name2-azabicyclo[3.1.0]hexa-1,3,5-triene;methanol
PubChem CID146306786
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name2-azabicyclo[3.1.0]hexa-1,3,5-triene;methanol
SMILESCO.c1cc2cc-2n1
InChIInChI=1S/C5H3N.CH4O/c1-2-6-5-3-4(1)5;1-2/h1-3H;2H,1H3
InChIKeyVVOVMSFXESJXEZ-UHFFFAOYSA-N
XLogP0.67
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[3.1.0]hexa-1,3,5-triene;methanol?
The IUPAC name of 2-azabicyclo[3.1.0]hexa-1,3,5-triene;methanol (CID 146306786) is 2-azabicyclo[3.1.0]hexa-1,3,5-triene;methanol.
What is the SMILES notation for 2-azabicyclo[3.1.0]hexa-1,3,5-triene;methanol?
The canonical SMILES for 2-azabicyclo[3.1.0]hexa-1,3,5-triene;methanol is CO.c1cc2cc-2n1.
What is the InChIKey of 2-azabicyclo[3.1.0]hexa-1,3,5-triene;methanol?
The InChIKey is VVOVMSFXESJXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N.CH4O/c1-2-6-5-3-4(1)5;1-2/h1-3H;2H,1H3.
What are the key properties of 2-azabicyclo[3.1.0]hexa-1,3,5-triene;methanol?
2-azabicyclo[3.1.0]hexa-1,3,5-triene;methanol has a molecular weight of 109.13 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[3.1.0]hexa-1,3,5-triene;methanol is sourced from PubChem (CID 146306786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).