[(1R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-yl]azanide

About [(1R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-yl]azanide

[(1R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-yl]azanide (PubChem CID 140709036) has the molecular formula C16H19N2O- and a molecular weight of 255.34 g/mol. Its IUPAC name is [(1R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-yl]azanide.

Molecular Properties

Compound Name	[(1R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-yl]azanide
PubChem CID	140709036
Molecular Formula	C16H19N2O-
Molecular Weight	255.34 g/mol
Exact Mass	255.15
IUPAC Name	[(1R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-yl]azanide
SMILES	C/C=C1\C2C=C(C)C[C@]1([NH-])c1ccc(OC)nc1C2
InChI	InChI=1S/C16H19N2O/c1-4-12-11-7-10(2)9-16(12,17)13-5-6-15(19-3)18-14(13)8-11/h4-7,11,17H,8-9H2,1-3H3/q-1/b12-4+/t11?,16-/m1/s1
InChIKey	NEUCLRKOQAPFGR-CUXOCBLKSA-N
XLogP	3.81
TPSA	45.92 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.34
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(1R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-yl]azanide?

The IUPAC name of [(1R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-yl]azanide (CID 140709036) is [(1R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-yl]azanide.

What is the SMILES notation for [(1R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-yl]azanide?

The canonical SMILES for [(1R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-yl]azanide is C/C=C1\C2C=C(C)C[C@]1([NH-])c1ccc(OC)nc1C2.

What is the InChIKey of [(1R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-yl]azanide?

The InChIKey is NEUCLRKOQAPFGR-CUXOCBLKSA-N. The full InChI is InChI=1S/C16H19N2O/c1-4-12-11-7-10(2)9-16(12,17)13-5-6-15(19-3)18-14(13)8-11/h4-7,11,17H,8-9H2,1-3H3/q-1/b12-4+/t11?,16-/m1/s1.

What are the key properties of [(1R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-yl]azanide?

[(1R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-yl]azanide has a molecular weight of 255.34 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-yl]azanide is sourced from PubChem (CID 140709036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).