(1S,5S,6S,7R)-6,7-dimethyl-2,3-diazabicyclo[3.2.0]hept-2-ene

C7H12N2 — CID 15417036

IUPAC(1S,5S,6S,7R)-6,7-dimethyl-2,3-diazabicyclo[3.2.0]hept-2-ene
SMILESC[C@@H]1[C@H](C)[C@H]2CN=N[C@@H]12
InChIInChI=1S/C7H12N2/c1-4-5(2)7-6(4)3-8-9-7/h4-7H,3H2,1-2H3/t4-,5+,6+,7-/m0/s1
InChIKeyBDODJZAVURVMIA-WNJXEPBRSA-N
MW124.19 g/mol
LogP1.72
Rot. Bonds

About (1S,5S,6S,7R)-6,7-dimethyl-2,3-diazabicyclo[3.2.0]hept-2-ene

(1S,5S,6S,7R)-6,7-dimethyl-2,3-diazabicyclo[3.2.0]hept-2-ene (PubChem CID 15417036) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (1S,5S,6S,7R)-6,7-dimethyl-2,3-diazabicyclo[3.2.0]hept-2-ene.

Molecular Properties

Compound Name(1S,5S,6S,7R)-6,7-dimethyl-2,3-diazabicyclo[3.2.0]hept-2-ene
PubChem CID15417036
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(1S,5S,6S,7R)-6,7-dimethyl-2,3-diazabicyclo[3.2.0]hept-2-ene
SMILESC[C@@H]1[C@H](C)[C@H]2CN=N[C@@H]12
InChIInChI=1S/C7H12N2/c1-4-5(2)7-6(4)3-8-9-7/h4-7H,3H2,1-2H3/t4-,5+,6+,7-/m0/s1
InChIKeyBDODJZAVURVMIA-WNJXEPBRSA-N
XLogP1.72
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5S,6S,7R)-6,7-dimethyl-2,3-diazabicyclo[3.2.0]hept-2-ene?
The IUPAC name of (1S,5S,6S,7R)-6,7-dimethyl-2,3-diazabicyclo[3.2.0]hept-2-ene (CID 15417036) is (1S,5S,6S,7R)-6,7-dimethyl-2,3-diazabicyclo[3.2.0]hept-2-ene.
What is the SMILES notation for (1S,5S,6S,7R)-6,7-dimethyl-2,3-diazabicyclo[3.2.0]hept-2-ene?
The canonical SMILES for (1S,5S,6S,7R)-6,7-dimethyl-2,3-diazabicyclo[3.2.0]hept-2-ene is C[C@@H]1[C@H](C)[C@H]2CN=N[C@@H]12.
What is the InChIKey of (1S,5S,6S,7R)-6,7-dimethyl-2,3-diazabicyclo[3.2.0]hept-2-ene?
The InChIKey is BDODJZAVURVMIA-WNJXEPBRSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-5(2)7-6(4)3-8-9-7/h4-7H,3H2,1-2H3/t4-,5+,6+,7-/m0/s1.
What are the key properties of (1S,5S,6S,7R)-6,7-dimethyl-2,3-diazabicyclo[3.2.0]hept-2-ene?
(1S,5S,6S,7R)-6,7-dimethyl-2,3-diazabicyclo[3.2.0]hept-2-ene has a molecular weight of 124.19 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6S,7R)-6,7-dimethyl-2,3-diazabicyclo[3.2.0]hept-2-ene is sourced from PubChem (CID 15417036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).