ethyl 1-oxospiro[2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine-3,4'-cyclohexane]-1'-carboxylate

C15H24N2O3 — CID 71995751

IUPACethyl 1-oxospiro[2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine-3,4'-cyclohexane]-1'-carboxylate
SMILESCCOC(=O)C1CCC2(CC1)NC(=O)C1CCCCN12
InChIInChI=1S/C15H24N2O3/c1-2-20-14(19)11-6-8-15(9-7-11)16-13(18)12-5-3-4-10-17(12)15/h11-12H,2-10H2,1H3,(H,16,18)
InChIKeyDNCHZGLTNNLQPX-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.42
Rot. Bonds2

About ethyl 1-oxospiro[2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine-3,4'-cyclohexane]-1'-carboxylate

ethyl 1-oxospiro[2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine-3,4'-cyclohexane]-1'-carboxylate (PubChem CID 71995751) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 1-oxospiro[2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine-3,4'-cyclohexane]-1'-carboxylate.

Molecular Properties

Compound Nameethyl 1-oxospiro[2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine-3,4'-cyclohexane]-1'-carboxylate
PubChem CID71995751
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nameethyl 1-oxospiro[2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine-3,4'-cyclohexane]-1'-carboxylate
SMILESCCOC(=O)C1CCC2(CC1)NC(=O)C1CCCCN12
InChIInChI=1S/C15H24N2O3/c1-2-20-14(19)11-6-8-15(9-7-11)16-13(18)12-5-3-4-10-17(12)15/h11-12H,2-10H2,1H3,(H,16,18)
InChIKeyDNCHZGLTNNLQPX-UHFFFAOYSA-N
XLogP1.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-oxospiro[2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine-3,4'-cyclohexane]-1'-carboxylate with MolForge

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Related Compounds

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CID 68985516
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ethyl 4-formyl-4-hydroxycyclohexane-1-carboxylate
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ethyl piperidin-1-ium-3-carboxylate;hydrochloride
CID 86633098
ethyl 4-hydroxy-4-[(piperidin-1-ylamino)methyl]cyclohexane-1-carboxylate
CID 106499676
ethyl 1-[[1-(bromomethyl)cyclobutyl]methyl]piperidine-4-carboxylate
CID 65009031
ethyl 2-oxo-1,3,5,6,7,8-hexahydropyrrolizine-3-carboxylate
CID 130432586
ethyl (1R,2S,8aS)-1-amino-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-2-carboxylate
CID 25418924
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802

Frequently Asked Questions

What is the IUPAC name of ethyl 1-oxospiro[2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine-3,4'-cyclohexane]-1'-carboxylate?
The IUPAC name of ethyl 1-oxospiro[2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine-3,4'-cyclohexane]-1'-carboxylate (CID 71995751) is ethyl 1-oxospiro[2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine-3,4'-cyclohexane]-1'-carboxylate.
What is the SMILES notation for ethyl 1-oxospiro[2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine-3,4'-cyclohexane]-1'-carboxylate?
The canonical SMILES for ethyl 1-oxospiro[2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine-3,4'-cyclohexane]-1'-carboxylate is CCOC(=O)C1CCC2(CC1)NC(=O)C1CCCCN12.
What is the InChIKey of ethyl 1-oxospiro[2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine-3,4'-cyclohexane]-1'-carboxylate?
The InChIKey is DNCHZGLTNNLQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-20-14(19)11-6-8-15(9-7-11)16-13(18)12-5-3-4-10-17(12)15/h11-12H,2-10H2,1H3,(H,16,18).
What are the key properties of ethyl 1-oxospiro[2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine-3,4'-cyclohexane]-1'-carboxylate?
ethyl 1-oxospiro[2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine-3,4'-cyclohexane]-1'-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-oxospiro[2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine-3,4'-cyclohexane]-1'-carboxylate is sourced from PubChem (CID 71995751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).