ethyl (1Z,3Z,5Z,7Z)-2-aminocycloocta-1,3,5,7-tetraene-1-carboxylate

C11H13NO2 — CID 143685503

IUPACethyl (1Z,3Z,5Z,7Z)-2-aminocycloocta-1,3,5,7-tetraene-1-carboxylate
SMILESCCOC(=O)C1=C(N)/C=C\C=C/C=C\1
InChIInChI=1S/C11H13NO2/c1-2-14-11(13)9-7-5-3-4-6-8-10(9)12/h3-8H,2,12H2,1H3/b4-3-,5-3-,6-4-,7-5-,8-6-,9-7+,10-8+,10-9-
InChIKeySDMHMWPDBDNCHL-OSNHOXBNSA-N
MW191.23 g/mol
LogP1.44
Rot. Bonds2

About ethyl (1Z,3Z,5Z,7Z)-2-aminocycloocta-1,3,5,7-tetraene-1-carboxylate

ethyl (1Z,3Z,5Z,7Z)-2-aminocycloocta-1,3,5,7-tetraene-1-carboxylate (PubChem CID 143685503) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is ethyl (1Z,3Z,5Z,7Z)-2-aminocycloocta-1,3,5,7-tetraene-1-carboxylate.

Molecular Properties

Compound Nameethyl (1Z,3Z,5Z,7Z)-2-aminocycloocta-1,3,5,7-tetraene-1-carboxylate
PubChem CID143685503
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Nameethyl (1Z,3Z,5Z,7Z)-2-aminocycloocta-1,3,5,7-tetraene-1-carboxylate
SMILESCCOC(=O)C1=C(N)/C=C\C=C/C=C\1
InChIInChI=1S/C11H13NO2/c1-2-14-11(13)9-7-5-3-4-6-8-10(9)12/h3-8H,2,12H2,1H3/b4-3-,5-3-,6-4-,7-5-,8-6-,9-7+,10-8+,10-9-
InChIKeySDMHMWPDBDNCHL-OSNHOXBNSA-N
XLogP1.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (1Z,3Z,5Z,7Z)-2-aminocycloocta-1,3,5,7-tetraene-1-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 3-amino-2-chloro-6-methyl-1,2-dihydropyridine-4-carboxylate
CID 177020997
ethyl 6-chloro-1,2-dihydropyridine-5-carboxylate
CID 163916934
CID 135044135
CID 135044135
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
diethyl 4-amino-5-hydroxybenzene-1,2-dicarboxylate
CID 19800643
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 4-aminobenzoate
CID 2337
ethyl 2-amino-5-sulfanylidenecyclohexa-1,3-diene-1-carboxylate
CID 88759007
ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61310193
ethyl 5-aminofuran-3-carboxylate
CID 22218303
(4-ethoxycarbonylphenyl)-λ2-stannane
CID 173440121
ethyl 2-aminocyclopropene-1-carboxylate
CID 54193100

Frequently Asked Questions

What is the IUPAC name of ethyl (1Z,3Z,5Z,7Z)-2-aminocycloocta-1,3,5,7-tetraene-1-carboxylate?
The IUPAC name of ethyl (1Z,3Z,5Z,7Z)-2-aminocycloocta-1,3,5,7-tetraene-1-carboxylate (CID 143685503) is ethyl (1Z,3Z,5Z,7Z)-2-aminocycloocta-1,3,5,7-tetraene-1-carboxylate.
What is the SMILES notation for ethyl (1Z,3Z,5Z,7Z)-2-aminocycloocta-1,3,5,7-tetraene-1-carboxylate?
The canonical SMILES for ethyl (1Z,3Z,5Z,7Z)-2-aminocycloocta-1,3,5,7-tetraene-1-carboxylate is CCOC(=O)C1=C(N)/C=C\C=C/C=C\1.
What is the InChIKey of ethyl (1Z,3Z,5Z,7Z)-2-aminocycloocta-1,3,5,7-tetraene-1-carboxylate?
The InChIKey is SDMHMWPDBDNCHL-OSNHOXBNSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-14-11(13)9-7-5-3-4-6-8-10(9)12/h3-8H,2,12H2,1H3/b4-3-,5-3-,6-4-,7-5-,8-6-,9-7+,10-8+,10-9-.
What are the key properties of ethyl (1Z,3Z,5Z,7Z)-2-aminocycloocta-1,3,5,7-tetraene-1-carboxylate?
ethyl (1Z,3Z,5Z,7Z)-2-aminocycloocta-1,3,5,7-tetraene-1-carboxylate has a molecular weight of 191.23 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1Z,3Z,5Z,7Z)-2-aminocycloocta-1,3,5,7-tetraene-1-carboxylate is sourced from PubChem (CID 143685503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).