tert-butyl 8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-diene-11-carboxylate

C18H23NO3 — CID 11012073

IUPACtert-butyl 8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-diene-11-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CC23C1=CC(=O)C1=C3CCCC1
InChIInChI=1S/C18H23NO3/c1-17(2,3)22-16(21)19-10-11-9-18(11)13-7-5-4-6-12(13)14(20)8-15(18)19/h8,11H,4-7,9-10H2,1-3H3
InChIKeyXQQNQPYJZYJCGJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.58
Rot. Bonds

About tert-butyl 8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-diene-11-carboxylate

tert-butyl 8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-diene-11-carboxylate (PubChem CID 11012073) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is tert-butyl 8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-diene-11-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-diene-11-carboxylate
PubChem CID11012073
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Nametert-butyl 8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-diene-11-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CC23C1=CC(=O)C1=C3CCCC1
InChIInChI=1S/C18H23NO3/c1-17(2,3)22-16(21)19-10-11-9-18(11)13-7-5-4-6-12(13)14(20)8-15(18)19/h8,11H,4-7,9-10H2,1-3H3
InChIKeyXQQNQPYJZYJCGJ-UHFFFAOYSA-N
XLogP3.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-diene-11-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

11-Acetyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-dien-8-one
CID 59962442
11-Acetyl-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3(8),9-dien-2-one
CID 59962453
ethane;3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
CID 143030127
Tert-butyl 2-oxo-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3(8),9-diene-11-carboxylate
CID 145817257
6-Acetyl-3-methylidene-6-azatetracyclo[8.5.0.02,4.02,7]pentadec-7-en-9-one
CID 154987210
(1Z,2R,4S,13Z,15Z)-6-acetyl-6-azatetracyclo[8.7.0.02,4.02,7]heptadeca-1(17),7,10,13,15-pentaen-9-one
CID 163698338
3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
CID 143030128

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-diene-11-carboxylate?
The IUPAC name of tert-butyl 8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-diene-11-carboxylate (CID 11012073) is tert-butyl 8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-diene-11-carboxylate.
What is the SMILES notation for tert-butyl 8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-diene-11-carboxylate?
The canonical SMILES for tert-butyl 8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-diene-11-carboxylate is CC(C)(C)OC(=O)N1CC2CC23C1=CC(=O)C1=C3CCCC1.
What is the InChIKey of tert-butyl 8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-diene-11-carboxylate?
The InChIKey is XQQNQPYJZYJCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-17(2,3)22-16(21)19-10-11-9-18(11)13-7-5-4-6-12(13)14(20)8-15(18)19/h8,11H,4-7,9-10H2,1-3H3.
What are the key properties of tert-butyl 8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-diene-11-carboxylate?
tert-butyl 8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-diene-11-carboxylate has a molecular weight of 301.39 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-diene-11-carboxylate is sourced from PubChem (CID 11012073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).