ethyl 5-azatricyclo[4.3.1.03,10]decane-5-carboxylate

C12H19NO2 — CID 24978265

IUPACethyl 5-azatricyclo[4.3.1.03,10]decane-5-carboxylate
SMILESCCOC(=O)N1CC2CC3CCCC1C32
InChIInChI=1S/C12H19NO2/c1-2-15-12(14)13-7-9-6-8-4-3-5-10(13)11(8)9/h8-11H,2-7H2,1H3
InChIKeyMPCYJAMGHYMQTI-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.26
Rot. Bonds1

About ethyl 5-azatricyclo[4.3.1.03,10]decane-5-carboxylate

ethyl 5-azatricyclo[4.3.1.03,10]decane-5-carboxylate (PubChem CID 24978265) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is ethyl 5-azatricyclo[4.3.1.03,10]decane-5-carboxylate.

Molecular Properties

Compound Nameethyl 5-azatricyclo[4.3.1.03,10]decane-5-carboxylate
PubChem CID24978265
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nameethyl 5-azatricyclo[4.3.1.03,10]decane-5-carboxylate
SMILESCCOC(=O)N1CC2CC3CCCC1C32
InChIInChI=1S/C12H19NO2/c1-2-15-12(14)13-7-9-6-8-4-3-5-10(13)11(8)9/h8-11H,2-7H2,1H3
InChIKeyMPCYJAMGHYMQTI-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 129460925
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CID 102893928
ethyl (4R)-5-methyl-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 59922428
ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate
CID 118303128
ethyl (2R)-2-methylaziridine-1-carboxylate
CID 129364107
ethyl 2-ethoxypyrrolidine-1-carboxylate
CID 10976224
2-O-benzyl 3-O-ethyl (3aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2,3-dicarboxylate
CID 59356485
ethyl 4-formyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylate
CID 174631990
ethyl (7aS)-6-acetyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;hydrate;hydrochloride
CID 18610964
ethyl 5-(4-aminophenoxy)-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 117050606
ethyl 5-benzyl-6-hydroxy-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 18335577
ethyl (2S)-2-ethoxypiperidine-1-carboxylate
CID 92983244

Frequently Asked Questions

What is the IUPAC name of ethyl 5-azatricyclo[4.3.1.03,10]decane-5-carboxylate?
The IUPAC name of ethyl 5-azatricyclo[4.3.1.03,10]decane-5-carboxylate (CID 24978265) is ethyl 5-azatricyclo[4.3.1.03,10]decane-5-carboxylate.
What is the SMILES notation for ethyl 5-azatricyclo[4.3.1.03,10]decane-5-carboxylate?
The canonical SMILES for ethyl 5-azatricyclo[4.3.1.03,10]decane-5-carboxylate is CCOC(=O)N1CC2CC3CCCC1C32.
What is the InChIKey of ethyl 5-azatricyclo[4.3.1.03,10]decane-5-carboxylate?
The InChIKey is MPCYJAMGHYMQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-15-12(14)13-7-9-6-8-4-3-5-10(13)11(8)9/h8-11H,2-7H2,1H3.
What are the key properties of ethyl 5-azatricyclo[4.3.1.03,10]decane-5-carboxylate?
ethyl 5-azatricyclo[4.3.1.03,10]decane-5-carboxylate has a molecular weight of 209.29 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-azatricyclo[4.3.1.03,10]decane-5-carboxylate is sourced from PubChem (CID 24978265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).