(1R)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylic acid;hydrobromide

C18H24BrNO2 — CID 70590654

About (1R)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylic acid;hydrobromide

(1R)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylic acid;hydrobromide (PubChem CID 70590654) has the molecular formula C18H24BrNO2 and a molecular weight of 366.30 g/mol. Its IUPAC name is (1R)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylic acid;hydrobromide.

Molecular Properties

• Compound Name: (1R)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylic acid;hydrobromide
• PubChem CID: 70590654
• Molecular Formula: C18H24BrNO2
• Molecular Weight: 366.30 g/mol
• Exact Mass: 365.10
• IUPAC Name: (1R)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylic acid;hydrobromide
• SMILES: Br.CC[C@@]12CC3C(C(=O)O)CC1C(Cc1ccccc12)N3C
• InChI: InChI=1S/C18H23NO2.BrH/c1-3-18-10-16-12(17(20)21)9-14(18)15(19(16)2)8-11-6-4-5-7-13(11)18;/h4-7,12,14-16H,3,8-10H2,1-2H3,(H,20,21);1H/t12?,14?,15?,16?,18-;/m0./s1
• InChIKey: JJDSLIYGEWDZNU-GBQNOSALSA-N
• XLogP: 3.26
• TPSA: 40.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.30
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (1R)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylic acid;hydrobromide?

The IUPAC name of (1R)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylic acid;hydrobromide (CID 70590654) is (1R)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylic acid;hydrobromide.

What is the SMILES notation for (1R)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylic acid;hydrobromide?

The canonical SMILES for (1R)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylic acid;hydrobromide is Br.CC[C@@]12CC3C(C(=O)O)CC1C(Cc1ccccc12)N3C.

What is the InChIKey of (1R)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylic acid;hydrobromide?

The InChIKey is JJDSLIYGEWDZNU-GBQNOSALSA-N. The full InChI is InChI=1S/C18H23NO2.BrH/c1-3-18-10-16-12(17(20)21)9-14(18)15(19(16)2)8-11-6-4-5-7-13(11)18;/h4-7,12,14-16H,3,8-10H2,1-2H3,(H,20,21);1H/t12?,14?,15?,16?,18-;/m0./s1.

What are the key properties of (1R)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylic acid;hydrobromide?

(1R)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylic acid;hydrobromide has a molecular weight of 366.30 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylic acid;hydrobromide is sourced from PubChem (CID 70590654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).