6,7-dimethyl-4-methylidene-2-azabicyclo[3.2.0]hepta-1(5),2-diene

C9H11N — CID 89263387

IUPAC6,7-dimethyl-4-methylidene-2-azabicyclo[3.2.0]hepta-1(5),2-diene
SMILESC=C1C=NC2=C1C(C)C2C
InChIInChI=1S/C9H11N/c1-5-4-10-9-7(3)6(2)8(5)9/h4,6-7H,1H2,2-3H3
InChIKeyPLVYNYNYLRBUHZ-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.17
Rot. Bonds

About 6,7-dimethyl-4-methylidene-2-azabicyclo[3.2.0]hepta-1(5),2-diene

6,7-dimethyl-4-methylidene-2-azabicyclo[3.2.0]hepta-1(5),2-diene (PubChem CID 89263387) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 6,7-dimethyl-4-methylidene-2-azabicyclo[3.2.0]hepta-1(5),2-diene.

Molecular Properties

Compound Name6,7-dimethyl-4-methylidene-2-azabicyclo[3.2.0]hepta-1(5),2-diene
PubChem CID89263387
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name6,7-dimethyl-4-methylidene-2-azabicyclo[3.2.0]hepta-1(5),2-diene
SMILESC=C1C=NC2=C1C(C)C2C
InChIInChI=1S/C9H11N/c1-5-4-10-9-7(3)6(2)8(5)9/h4,6-7H,1H2,2-3H3
InChIKeyPLVYNYNYLRBUHZ-UHFFFAOYSA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,7-Dimethyl-2-azabicyclo[3.2.0]hepta-1(5),2-diene
CID 88563171
2-Ethyl-4-methylidene-3-propan-2-ylpyrrole
CID 89263313
3-Ethyl-4-methylidene-2-(5-methyl-4-methylidenehexyl)pyrrole
CID 174255827
3-Ethyl-4-methylidene-2-(3-methyl-2-methylidenebutyl)pyrrole
CID 174266193
2-(3,4-Dimethylpentyl)-3-ethyl-4-methylidenepyrrole
CID 174266194
3-Methylidene-6-(2-methylpropyl)-4,7-dihydroindole
CID 174306378
1-[2-(methylideneamino)-4-propan-2-ylcyclopenten-1-yl]-N-propylmethanimine
CID 177054092

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-methylidene-2-azabicyclo[3.2.0]hepta-1(5),2-diene?
The IUPAC name of 6,7-dimethyl-4-methylidene-2-azabicyclo[3.2.0]hepta-1(5),2-diene (CID 89263387) is 6,7-dimethyl-4-methylidene-2-azabicyclo[3.2.0]hepta-1(5),2-diene.
What is the SMILES notation for 6,7-dimethyl-4-methylidene-2-azabicyclo[3.2.0]hepta-1(5),2-diene?
The canonical SMILES for 6,7-dimethyl-4-methylidene-2-azabicyclo[3.2.0]hepta-1(5),2-diene is C=C1C=NC2=C1C(C)C2C.
What is the InChIKey of 6,7-dimethyl-4-methylidene-2-azabicyclo[3.2.0]hepta-1(5),2-diene?
The InChIKey is PLVYNYNYLRBUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-5-4-10-9-7(3)6(2)8(5)9/h4,6-7H,1H2,2-3H3.
What are the key properties of 6,7-dimethyl-4-methylidene-2-azabicyclo[3.2.0]hepta-1(5),2-diene?
6,7-dimethyl-4-methylidene-2-azabicyclo[3.2.0]hepta-1(5),2-diene has a molecular weight of 133.19 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-methylidene-2-azabicyclo[3.2.0]hepta-1(5),2-diene is sourced from PubChem (CID 89263387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).