2,5-dimethyl-5-[(Z)-prop-1-enyl]-9-azatricyclo[5.4.0.01,4]undeca-6,8,10-triene

C15H19N — CID 71053972

IUPAC2,5-dimethyl-5-[(Z)-prop-1-enyl]-9-azatricyclo[5.4.0.01,4]undeca-6,8,10-triene
SMILESC/C=C\C1(C)C=C2C=NC=CC23C(C)CC13
InChIInChI=1S/C15H19N/c1-4-5-14(3)9-12-10-16-7-6-15(12)11(2)8-13(14)15/h4-7,9-11,13H,8H2,1-3H3/b5-4-
InChIKeyZKVLDIAGTIGRDM-PLNGDYQASA-N
MW213.32 g/mol
LogP3.75
Rot. Bonds1

About 2,5-dimethyl-5-[(Z)-prop-1-enyl]-9-azatricyclo[5.4.0.01,4]undeca-6,8,10-triene

2,5-dimethyl-5-[(Z)-prop-1-enyl]-9-azatricyclo[5.4.0.01,4]undeca-6,8,10-triene (PubChem CID 71053972) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,5-dimethyl-5-[(Z)-prop-1-enyl]-9-azatricyclo[5.4.0.01,4]undeca-6,8,10-triene.

Molecular Properties

Compound Name2,5-dimethyl-5-[(Z)-prop-1-enyl]-9-azatricyclo[5.4.0.01,4]undeca-6,8,10-triene
PubChem CID71053972
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name2,5-dimethyl-5-[(Z)-prop-1-enyl]-9-azatricyclo[5.4.0.01,4]undeca-6,8,10-triene
SMILESC/C=C\C1(C)C=C2C=NC=CC23C(C)CC13
InChIInChI=1S/C15H19N/c1-4-5-14(3)9-12-10-16-7-6-15(12)11(2)8-13(14)15/h4-7,9-11,13H,8H2,1-3H3/b5-4-
InChIKeyZKVLDIAGTIGRDM-PLNGDYQASA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-5-[(Z)-prop-1-enyl]-9-azatricyclo[5.4.0.01,4]undeca-6,8,10-triene?
The IUPAC name of 2,5-dimethyl-5-[(Z)-prop-1-enyl]-9-azatricyclo[5.4.0.01,4]undeca-6,8,10-triene (CID 71053972) is 2,5-dimethyl-5-[(Z)-prop-1-enyl]-9-azatricyclo[5.4.0.01,4]undeca-6,8,10-triene.
What is the SMILES notation for 2,5-dimethyl-5-[(Z)-prop-1-enyl]-9-azatricyclo[5.4.0.01,4]undeca-6,8,10-triene?
The canonical SMILES for 2,5-dimethyl-5-[(Z)-prop-1-enyl]-9-azatricyclo[5.4.0.01,4]undeca-6,8,10-triene is C/C=C\C1(C)C=C2C=NC=CC23C(C)CC13.
What is the InChIKey of 2,5-dimethyl-5-[(Z)-prop-1-enyl]-9-azatricyclo[5.4.0.01,4]undeca-6,8,10-triene?
The InChIKey is ZKVLDIAGTIGRDM-PLNGDYQASA-N. The full InChI is InChI=1S/C15H19N/c1-4-5-14(3)9-12-10-16-7-6-15(12)11(2)8-13(14)15/h4-7,9-11,13H,8H2,1-3H3/b5-4-.
What are the key properties of 2,5-dimethyl-5-[(Z)-prop-1-enyl]-9-azatricyclo[5.4.0.01,4]undeca-6,8,10-triene?
2,5-dimethyl-5-[(Z)-prop-1-enyl]-9-azatricyclo[5.4.0.01,4]undeca-6,8,10-triene has a molecular weight of 213.32 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-5-[(Z)-prop-1-enyl]-9-azatricyclo[5.4.0.01,4]undeca-6,8,10-triene is sourced from PubChem (CID 71053972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).