6-methoxy-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene

C16H21NO — CID 53461554

IUPAC6-methoxy-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene
SMILESCOc1ccc2c(c1)CC1C2CC2CCC1N2C
InChIInChI=1S/C16H21NO/c1-17-11-3-6-16(17)15-8-10-7-12(18-2)4-5-13(10)14(15)9-11/h4-5,7,11,14-16H,3,6,8-9H2,1-2H3
InChIKeyFQIUFXJZKGCBSV-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.82
Rot. Bonds1

About 6-methoxy-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene

6-methoxy-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene (PubChem CID 53461554) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 6-methoxy-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene.

Molecular Properties

Compound Name6-methoxy-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene
PubChem CID53461554
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name6-methoxy-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene
SMILESCOc1ccc2c(c1)CC1C2CC2CCC1N2C
InChIInChI=1S/C16H21NO/c1-17-11-3-6-16(17)15-8-10-7-12(18-2)4-5-13(10)14(15)9-11/h4-5,7,11,14-16H,3,6,8-9H2,1-2H3
InChIKeyFQIUFXJZKGCBSV-UHFFFAOYSA-N
XLogP2.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methoxy-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene?
The IUPAC name of 6-methoxy-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene (CID 53461554) is 6-methoxy-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene.
What is the SMILES notation for 6-methoxy-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene?
The canonical SMILES for 6-methoxy-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene is COc1ccc2c(c1)CC1C2CC2CCC1N2C.
What is the InChIKey of 6-methoxy-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene?
The InChIKey is FQIUFXJZKGCBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-17-11-3-6-16(17)15-8-10-7-12(18-2)4-5-13(10)14(15)9-11/h4-5,7,11,14-16H,3,6,8-9H2,1-2H3.
What are the key properties of 6-methoxy-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene?
6-methoxy-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene has a molecular weight of 243.35 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene is sourced from PubChem (CID 53461554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).