ethyl 2-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine-6-carboxylate

C12H17NO2 — CID 58117008

IUPACethyl 2-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine-6-carboxylate
SMILESCCOC(=O)C1=CC2=C(CCN(C)C2)C1
InChIInChI=1S/C12H17NO2/c1-3-15-12(14)10-6-9-4-5-13(2)8-11(9)7-10/h7H,3-6,8H2,1-2H3
InChIKeyLVFSIAPOYUKJAK-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.51
Rot. Bonds2

About ethyl 2-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine-6-carboxylate

ethyl 2-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine-6-carboxylate (PubChem CID 58117008) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is ethyl 2-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine-6-carboxylate
PubChem CID58117008
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameethyl 2-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine-6-carboxylate
SMILESCCOC(=O)C1=CC2=C(CCN(C)C2)C1
InChIInChI=1S/C12H17NO2/c1-3-15-12(14)10-6-9-4-5-13(2)8-11(9)7-10/h7H,3-6,8H2,1-2H3
InChIKeyLVFSIAPOYUKJAK-UHFFFAOYSA-N
XLogP1.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 58781901
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ethyl (3R)-3-(dimethylamino)cyclohexene-1-carboxylate
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Ethyl 3-(dimethylamino)cyclohexene-1-carboxylate
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ethyl (4E,6E)-1-prop-2-enyl-1-azacyclopentadeca-4,6-dien-10-yne-7-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine-6-carboxylate?
The IUPAC name of ethyl 2-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine-6-carboxylate (CID 58117008) is ethyl 2-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 2-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 2-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine-6-carboxylate is CCOC(=O)C1=CC2=C(CCN(C)C2)C1.
What is the InChIKey of ethyl 2-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine-6-carboxylate?
The InChIKey is LVFSIAPOYUKJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-15-12(14)10-6-9-4-5-13(2)8-11(9)7-10/h7H,3-6,8H2,1-2H3.
What are the key properties of ethyl 2-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine-6-carboxylate?
ethyl 2-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine-6-carboxylate has a molecular weight of 207.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine-6-carboxylate is sourced from PubChem (CID 58117008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).