6-methoxy-9-methyl-10-prop-2-ynyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one

About 6-methoxy-9-methyl-10-prop-2-ynyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one

6-methoxy-9-methyl-10-prop-2-ynyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one (PubChem CID 106460291) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-methoxy-9-methyl-10-prop-2-ynyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one.

Molecular Properties

Compound Name	6-methoxy-9-methyl-10-prop-2-ynyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
PubChem CID	106460291
Molecular Formula	C15H16N2O3
Molecular Weight	272.30 g/mol
Exact Mass	272.12
IUPAC Name	6-methoxy-9-methyl-10-prop-2-ynyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
SMILES	C#CCN1C(=O)NC2CC1(C)Oc1c(OC)cccc12
InChI	InChI=1S/C15H16N2O3/c1-4-8-17-14(18)16-11-9-15(17,2)20-13-10(11)6-5-7-12(13)19-3/h1,5-7,11H,8-9H2,2-3H3,(H,16,18)
InChIKey	HLIACOGXCPZACG-UHFFFAOYSA-N
XLogP	1.89
TPSA	50.80 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	272.30
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-methyl-10-prop-2-ynyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?

The IUPAC name of 6-methoxy-9-methyl-10-prop-2-ynyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one (CID 106460291) is 6-methoxy-9-methyl-10-prop-2-ynyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one.

What is the SMILES notation for 6-methoxy-9-methyl-10-prop-2-ynyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?

The canonical SMILES for 6-methoxy-9-methyl-10-prop-2-ynyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one is C#CCN1C(=O)NC2CC1(C)Oc1c(OC)cccc12.

What is the InChIKey of 6-methoxy-9-methyl-10-prop-2-ynyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?

The InChIKey is HLIACOGXCPZACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-4-8-17-14(18)16-11-9-15(17,2)20-13-10(11)6-5-7-12(13)19-3/h1,5-7,11H,8-9H2,2-3H3,(H,16,18).

What are the key properties of 6-methoxy-9-methyl-10-prop-2-ynyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?

6-methoxy-9-methyl-10-prop-2-ynyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one has a molecular weight of 272.30 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-9-methyl-10-prop-2-ynyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one is sourced from PubChem (CID 106460291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).