1-(3,4,10-trimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)ethanone

C15H18N2O — CID 919256

IUPAC1-(3,4,10-trimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)ethanone
SMILESCC(=O)c1c(C)c(C)c2n1CCn1c(C)ccc1-2
InChIInChI=1S/C15H18N2O/c1-9-5-6-13-15-11(3)10(2)14(12(4)18)17(15)8-7-16(9)13/h5-6H,7-8H2,1-4H3
InChIKeyHQKCOOIUIHVBDV-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.10
Rot. Bonds1

About 1-(3,4,10-trimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)ethanone

1-(3,4,10-trimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)ethanone (PubChem CID 919256) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(3,4,10-trimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)ethanone.

Molecular Properties

Compound Name1-(3,4,10-trimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)ethanone
PubChem CID919256
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(3,4,10-trimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)ethanone
SMILESCC(=O)c1c(C)c(C)c2n1CCn1c(C)ccc1-2
InChIInChI=1S/C15H18N2O/c1-9-5-6-13-15-11(3)10(2)14(12(4)18)17(15)8-7-16(9)13/h5-6H,7-8H2,1-4H3
InChIKeyHQKCOOIUIHVBDV-UHFFFAOYSA-N
XLogP3.10
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,10-trimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)ethanone?
The IUPAC name of 1-(3,4,10-trimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)ethanone (CID 919256) is 1-(3,4,10-trimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)ethanone.
What is the SMILES notation for 1-(3,4,10-trimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)ethanone?
The canonical SMILES for 1-(3,4,10-trimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)ethanone is CC(=O)c1c(C)c(C)c2n1CCn1c(C)ccc1-2.
What is the InChIKey of 1-(3,4,10-trimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)ethanone?
The InChIKey is HQKCOOIUIHVBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-9-5-6-13-15-11(3)10(2)14(12(4)18)17(15)8-7-16(9)13/h5-6H,7-8H2,1-4H3.
What are the key properties of 1-(3,4,10-trimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)ethanone?
1-(3,4,10-trimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)ethanone has a molecular weight of 242.32 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,10-trimethyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl)ethanone is sourced from PubChem (CID 919256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).