ethane;6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene

C9H15N — CID 143700497

IUPACethane;6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene
SMILESCC.CC12C=CN=CC1C2
InChIInChI=1S/C7H9N.C2H6/c1-7-2-3-8-5-6(7)4-7;1-2/h2-3,5-6H,4H2,1H3;1-2H3
InChIKeyFLSILQBJFWPTED-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.64
Rot. Bonds

About ethane;6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene

ethane;6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 143700497) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is ethane;6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Nameethane;6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene
PubChem CID143700497
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Nameethane;6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene
SMILESCC.CC12C=CN=CC1C2
InChIInChI=1S/C7H9N.C2H6/c1-7-2-3-8-5-6(7)4-7;1-2/h2-3,5-6H,4H2,1H3;1-2H3
InChIKeyFLSILQBJFWPTED-UHFFFAOYSA-N
XLogP2.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of ethane;6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene (CID 143700497) is ethane;6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for ethane;6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for ethane;6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene is CC.CC12C=CN=CC1C2.
What is the InChIKey of ethane;6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is FLSILQBJFWPTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C2H6/c1-7-2-3-8-5-6(7)4-7;1-2/h2-3,5-6H,4H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene?
ethane;6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 137.23 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 143700497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).