ethyl (1S,14R)-10,11-dimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate

C19H25NO2 — CID 70590320

IUPACethyl (1S,14R)-10,11-dimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate
SMILESCCOC(=O)C1C[C@H]2C3Cc4ccccc4[C@H]2CC1(C)N3C
InChIInChI=1S/C19H25NO2/c1-4-22-18(21)16-10-14-15-11-19(16,2)20(3)17(14)9-12-7-5-6-8-13(12)15/h5-8,14-17H,4,9-11H2,1-3H3/t14-,15-,16?,17?,19?/m1/s1
InChIKeyPVZJAVCBLJQCKW-YCTIJVIUSA-N
MW299.41 g/mol
LogP2.99
Rot. Bonds2

About ethyl (1S,14R)-10,11-dimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate

ethyl (1S,14R)-10,11-dimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate (PubChem CID 70590320) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is ethyl (1S,14R)-10,11-dimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate.

Molecular Properties

Compound Nameethyl (1S,14R)-10,11-dimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate
PubChem CID70590320
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Nameethyl (1S,14R)-10,11-dimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate
SMILESCCOC(=O)C1C[C@H]2C3Cc4ccccc4[C@H]2CC1(C)N3C
InChIInChI=1S/C19H25NO2/c1-4-22-18(21)16-10-14-15-11-19(16,2)20(3)17(14)9-12-7-5-6-8-13(12)15/h5-8,14-17H,4,9-11H2,1-3H3/t14-,15-,16?,17?,19?/m1/s1
InChIKeyPVZJAVCBLJQCKW-YCTIJVIUSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl (1S,14R)-10,11-dimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate
CID 102322788
ethyl (2S,3S)-3-fluoro-3-hydroxy-1,2-dihydroindene-2-carboxylate
CID 57044445
ethyl (1S)-1-methyl-10-(1-phenylethyl)-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate
CID 70590358
ethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride
CID 131852452
ethyl (1R)-1-ethenyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate
CID 70593949
ethyl (1aR,7aS)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene-1-carboxylate
CID 10488912
ethyl (1R)-10-(cyclopropylmethyl)-1-ethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate
CID 70590288
cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate
CID 121371274
cis-ethyl (1R,2S)-2-acetyl-2-phenylcyclopropane-1-carboxylate
CID 90361588
ethyl (1R)-10-methyl-1-(2-phenylsulfanylethyl)-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate
CID 70593993
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
ethyl (2S,3S)-3-anilino-3-(trifluoromethyl)-1,2-dihydroindene-2-carboxylate
CID 162405344

Frequently Asked Questions

What is the IUPAC name of ethyl (1S,14R)-10,11-dimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate?
The IUPAC name of ethyl (1S,14R)-10,11-dimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate (CID 70590320) is ethyl (1S,14R)-10,11-dimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate.
What is the SMILES notation for ethyl (1S,14R)-10,11-dimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate?
The canonical SMILES for ethyl (1S,14R)-10,11-dimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate is CCOC(=O)C1C[C@H]2C3Cc4ccccc4[C@H]2CC1(C)N3C.
What is the InChIKey of ethyl (1S,14R)-10,11-dimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate?
The InChIKey is PVZJAVCBLJQCKW-YCTIJVIUSA-N. The full InChI is InChI=1S/C19H25NO2/c1-4-22-18(21)16-10-14-15-11-19(16,2)20(3)17(14)9-12-7-5-6-8-13(12)15/h5-8,14-17H,4,9-11H2,1-3H3/t14-,15-,16?,17?,19?/m1/s1.
What are the key properties of ethyl (1S,14R)-10,11-dimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate?
ethyl (1S,14R)-10,11-dimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,14R)-10,11-dimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate is sourced from PubChem (CID 70590320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).