6-methyl-2-azabicyclo[2.2.0]hexa-1,4-diene

C6H7N — CID 163628067

IUPAC6-methyl-2-azabicyclo[2.2.0]hexa-1,4-diene
SMILESCC1C=C2CN=C21
InChIInChI=1S/C6H7N/c1-4-2-5-3-7-6(4)5/h2,4H,3H2,1H3
InChIKeyHTRTZZJYFMADOM-UHFFFAOYSA-N
MW93.13 g/mol
LogP1.02
Rot. Bonds

About 6-methyl-2-azabicyclo[2.2.0]hexa-1,4-diene

6-methyl-2-azabicyclo[2.2.0]hexa-1,4-diene (PubChem CID 163628067) has the molecular formula C6H7N and a molecular weight of 93.13 g/mol. Its IUPAC name is 6-methyl-2-azabicyclo[2.2.0]hexa-1,4-diene.

Molecular Properties

Compound Name6-methyl-2-azabicyclo[2.2.0]hexa-1,4-diene
PubChem CID163628067
Molecular FormulaC6H7N
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC Name6-methyl-2-azabicyclo[2.2.0]hexa-1,4-diene
SMILESCC1C=C2CN=C21
InChIInChI=1S/C6H7N/c1-4-2-5-3-7-6(4)5/h2,4H,3H2,1H3
InChIKeyHTRTZZJYFMADOM-UHFFFAOYSA-N
XLogP1.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.13
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-azabicyclo[2.2.0]hexa-1,4-diene?
The IUPAC name of 6-methyl-2-azabicyclo[2.2.0]hexa-1,4-diene (CID 163628067) is 6-methyl-2-azabicyclo[2.2.0]hexa-1,4-diene.
What is the SMILES notation for 6-methyl-2-azabicyclo[2.2.0]hexa-1,4-diene?
The canonical SMILES for 6-methyl-2-azabicyclo[2.2.0]hexa-1,4-diene is CC1C=C2CN=C21.
What is the InChIKey of 6-methyl-2-azabicyclo[2.2.0]hexa-1,4-diene?
The InChIKey is HTRTZZJYFMADOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N/c1-4-2-5-3-7-6(4)5/h2,4H,3H2,1H3.
What are the key properties of 6-methyl-2-azabicyclo[2.2.0]hexa-1,4-diene?
6-methyl-2-azabicyclo[2.2.0]hexa-1,4-diene has a molecular weight of 93.13 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-azabicyclo[2.2.0]hexa-1,4-diene is sourced from PubChem (CID 163628067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).