(2R)-9-methyl-4,9,10-triazatricyclo[6.4.0.02,4]dodec-6-ene

C10H17N3 — CID 163758192

IUPAC(2R)-9-methyl-4,9,10-triazatricyclo[6.4.0.02,4]dodec-6-ene
SMILESCN1NCCC2C1C=CCN1C[C@@H]21
InChIInChI=1S/C10H17N3/c1-12-9-3-2-6-13-7-10(13)8(9)4-5-11-12/h2-3,8-11H,4-7H2,1H3/t8?,9?,10-,13?/m0/s1
InChIKeyLVWXPNNGMDKLGU-ITGBVKDJSA-N
MW179.27 g/mol
LogP0.07
Rot. Bonds

About (2R)-9-methyl-4,9,10-triazatricyclo[6.4.0.02,4]dodec-6-ene

(2R)-9-methyl-4,9,10-triazatricyclo[6.4.0.02,4]dodec-6-ene (PubChem CID 163758192) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (2R)-9-methyl-4,9,10-triazatricyclo[6.4.0.02,4]dodec-6-ene.

Molecular Properties

Compound Name(2R)-9-methyl-4,9,10-triazatricyclo[6.4.0.02,4]dodec-6-ene
PubChem CID163758192
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(2R)-9-methyl-4,9,10-triazatricyclo[6.4.0.02,4]dodec-6-ene
SMILESCN1NCCC2C1C=CCN1C[C@@H]21
InChIInChI=1S/C10H17N3/c1-12-9-3-2-6-13-7-10(13)8(9)4-5-11-12/h2-3,8-11H,4-7H2,1H3/t8?,9?,10-,13?/m0/s1
InChIKeyLVWXPNNGMDKLGU-ITGBVKDJSA-N
XLogP0.07
TPSA18.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

9-Methyl-1,2-diazabicyclo[3.3.1]non-6-ene
CID 90909223

Frequently Asked Questions

What is the IUPAC name of (2R)-9-methyl-4,9,10-triazatricyclo[6.4.0.02,4]dodec-6-ene?
The IUPAC name of (2R)-9-methyl-4,9,10-triazatricyclo[6.4.0.02,4]dodec-6-ene (CID 163758192) is (2R)-9-methyl-4,9,10-triazatricyclo[6.4.0.02,4]dodec-6-ene.
What is the SMILES notation for (2R)-9-methyl-4,9,10-triazatricyclo[6.4.0.02,4]dodec-6-ene?
The canonical SMILES for (2R)-9-methyl-4,9,10-triazatricyclo[6.4.0.02,4]dodec-6-ene is CN1NCCC2C1C=CCN1C[C@@H]21.
What is the InChIKey of (2R)-9-methyl-4,9,10-triazatricyclo[6.4.0.02,4]dodec-6-ene?
The InChIKey is LVWXPNNGMDKLGU-ITGBVKDJSA-N. The full InChI is InChI=1S/C10H17N3/c1-12-9-3-2-6-13-7-10(13)8(9)4-5-11-12/h2-3,8-11H,4-7H2,1H3/t8?,9?,10-,13?/m0/s1.
What are the key properties of (2R)-9-methyl-4,9,10-triazatricyclo[6.4.0.02,4]dodec-6-ene?
(2R)-9-methyl-4,9,10-triazatricyclo[6.4.0.02,4]dodec-6-ene has a molecular weight of 179.27 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-9-methyl-4,9,10-triazatricyclo[6.4.0.02,4]dodec-6-ene is sourced from PubChem (CID 163758192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).