ethyl 8-aminocyclooct-4-ene-1-carboxylate;hydrochloride

C11H20ClNO2 — CID 172641060

IUPACethyl 8-aminocyclooct-4-ene-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCC=CCCC1N.Cl
InChIInChI=1S/C11H19NO2.ClH/c1-2-14-11(13)9-7-5-3-4-6-8-10(9)12;/h3-4,9-10H,2,5-8,12H2,1H3;1H
InChIKeyYAFKRARNBPDLIH-UHFFFAOYSA-N
MW233.74 g/mol
LogP2.05
Rot. Bonds2

About ethyl 8-aminocyclooct-4-ene-1-carboxylate;hydrochloride

ethyl 8-aminocyclooct-4-ene-1-carboxylate;hydrochloride (PubChem CID 172641060) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is ethyl 8-aminocyclooct-4-ene-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 8-aminocyclooct-4-ene-1-carboxylate;hydrochloride
PubChem CID172641060
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Nameethyl 8-aminocyclooct-4-ene-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCC=CCCC1N.Cl
InChIInChI=1S/C11H19NO2.ClH/c1-2-14-11(13)9-7-5-3-4-6-8-10(9)12;/h3-4,9-10H,2,5-8,12H2,1H3;1H
InChIKeyYAFKRARNBPDLIH-UHFFFAOYSA-N
XLogP2.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

diethyl cyclohept-4-ene-1,2-dicarboxylate
CID 66930380
ethyl 2-aminocyclopentane-1-carboxylate;hydrochloride
CID 22258377
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
ethyl bicyclo[6.1.0]non-4-ene-9-carboxylate
CID 77425654
ethyl 3-aminooxane-4-carboxylate;hydrochloride
CID 78166325
ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate;hydrochloride
CID 117046512
ethyl 6-carbamoylcyclohex-2-ene-1-carboxylate
CID 54124837
ethyl (3R,4S)-3-aminooxane-4-carboxylate
CID 86709000
ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate
CID 117046513
diheptyl cyclohept-4-ene-1,2-dicarboxylate
CID 66930439
ethyl (2S)-2-hydroxycyclopentane-1-carboxylate
CID 130360742
trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
CID 1268212

Frequently Asked Questions

What is the IUPAC name of ethyl 8-aminocyclooct-4-ene-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 8-aminocyclooct-4-ene-1-carboxylate;hydrochloride (CID 172641060) is ethyl 8-aminocyclooct-4-ene-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 8-aminocyclooct-4-ene-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 8-aminocyclooct-4-ene-1-carboxylate;hydrochloride is CCOC(=O)C1CCC=CCCC1N.Cl.
What is the InChIKey of ethyl 8-aminocyclooct-4-ene-1-carboxylate;hydrochloride?
The InChIKey is YAFKRARNBPDLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.ClH/c1-2-14-11(13)9-7-5-3-4-6-8-10(9)12;/h3-4,9-10H,2,5-8,12H2,1H3;1H.
What are the key properties of ethyl 8-aminocyclooct-4-ene-1-carboxylate;hydrochloride?
ethyl 8-aminocyclooct-4-ene-1-carboxylate;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-aminocyclooct-4-ene-1-carboxylate;hydrochloride is sourced from PubChem (CID 172641060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).