ethyl (1R)-10-(cyclopropylmethyl)-1-ethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate

C23H31NO2 — CID 70590288

About ethyl (1R)-10-(cyclopropylmethyl)-1-ethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate

ethyl (1R)-10-(cyclopropylmethyl)-1-ethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate (PubChem CID 70590288) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is ethyl (1R)-10-(cyclopropylmethyl)-1-ethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate.

Molecular Properties

• Compound Name: ethyl (1R)-10-(cyclopropylmethyl)-1-ethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate
• PubChem CID: 70590288
• Molecular Formula: C23H31NO2
• Molecular Weight: 353.51 g/mol
• Exact Mass: 353.24
• IUPAC Name: ethyl (1R)-10-(cyclopropylmethyl)-1-ethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate
• SMILES: CCOC(=O)C1CC2C3Cc4ccccc4[C@]2(CC)CC1N3CC1CC1
• InChI: InChI=1S/C23H31NO2/c1-3-23-13-21-17(22(25)26-4-2)12-19(23)20(24(21)14-15-9-10-15)11-16-7-5-6-8-18(16)23/h5-8,15,17,19-21H,3-4,9-14H2,1-2H3/t17?,19?,20?,21?,23-/m0/s1
• InChIKey: FNXQMCFGLLYFRU-LKEHGYBISA-N
• XLogP: 3.94
• TPSA: 29.54 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.51
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of ethyl (1R)-10-(cyclopropylmethyl)-1-ethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate?

The IUPAC name of ethyl (1R)-10-(cyclopropylmethyl)-1-ethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate (CID 70590288) is ethyl (1R)-10-(cyclopropylmethyl)-1-ethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate.

What is the SMILES notation for ethyl (1R)-10-(cyclopropylmethyl)-1-ethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate?

The canonical SMILES for ethyl (1R)-10-(cyclopropylmethyl)-1-ethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate is CCOC(=O)C1CC2C3Cc4ccccc4[C@]2(CC)CC1N3CC1CC1.

What is the InChIKey of ethyl (1R)-10-(cyclopropylmethyl)-1-ethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate?

The InChIKey is FNXQMCFGLLYFRU-LKEHGYBISA-N. The full InChI is InChI=1S/C23H31NO2/c1-3-23-13-21-17(22(25)26-4-2)12-19(23)20(24(21)14-15-9-10-15)11-16-7-5-6-8-18(16)23/h5-8,15,17,19-21H,3-4,9-14H2,1-2H3/t17?,19?,20?,21?,23-/m0/s1.

What are the key properties of ethyl (1R)-10-(cyclopropylmethyl)-1-ethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate?

ethyl (1R)-10-(cyclopropylmethyl)-1-ethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate has a molecular weight of 353.51 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (1R)-10-(cyclopropylmethyl)-1-ethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate is sourced from PubChem (CID 70590288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).