ethyl (8aR)-5-pyrrolidin-1-yl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylate

C14H19N3O2 — CID 94063595

IUPACethyl (8aR)-5-pyrrolidin-1-yl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)C1=CN2C(N3CCCC3)=CC=C[C@@H]2N1
InChIInChI=1S/C14H19N3O2/c1-2-19-14(18)11-10-17-12(15-11)6-5-7-13(17)16-8-3-4-9-16/h5-7,10,12,15H,2-4,8-9H2,1H3/t12-/m1/s1
InChIKeyYOUBTDMSCRXZEW-GFCCVEGCSA-N
MW261.32 g/mol
LogP1.13
Rot. Bonds3

About ethyl (8aR)-5-pyrrolidin-1-yl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylate

ethyl (8aR)-5-pyrrolidin-1-yl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 94063595) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl (8aR)-5-pyrrolidin-1-yl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl (8aR)-5-pyrrolidin-1-yl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID94063595
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Nameethyl (8aR)-5-pyrrolidin-1-yl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)C1=CN2C(N3CCCC3)=CC=C[C@@H]2N1
InChIInChI=1S/C14H19N3O2/c1-2-19-14(18)11-10-17-12(15-11)6-5-7-13(17)16-8-3-4-9-16/h5-7,10,12,15H,2-4,8-9H2,1H3/t12-/m1/s1
InChIKeyYOUBTDMSCRXZEW-GFCCVEGCSA-N
XLogP1.13
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (5S)-5-amino-1,5-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 96930717
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CID 134540950
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ethyl 2-hydroxy-4-methyl-6-pyrrolidin-1-ylbenzoate
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ethyl 3-methyl-2-pyrrolidin-1-ylbenzoate
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ethyl 6-piperidin-4-yl-1,8a-dihydroimidazo[1,2-a]pyrazine-2-carboxylate
CID 163668136
ethyl 1,2,3,4,4a,5-hexahydroquinoline-5-carboxylate
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ethyl 2-amino-3-(azocan-1-yl)benzoate
CID 115544638
diethyl 4-pyrrolidin-1-yl-2,3-dihydropyrrole-1,2-dicarboxylate
CID 19392563
ethyl 1-(4-aminonaphthalen-1-yl)piperidine-3-carboxylate
CID 118952705
ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
CID 113482815
ethyl 1,3a,6,6a-tetrahydrocyclopenta[b]pyrrole-2-carboxylate
CID 23529487

Frequently Asked Questions

What is the IUPAC name of ethyl (8aR)-5-pyrrolidin-1-yl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl (8aR)-5-pyrrolidin-1-yl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylate (CID 94063595) is ethyl (8aR)-5-pyrrolidin-1-yl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl (8aR)-5-pyrrolidin-1-yl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl (8aR)-5-pyrrolidin-1-yl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)C1=CN2C(N3CCCC3)=CC=C[C@@H]2N1.
What is the InChIKey of ethyl (8aR)-5-pyrrolidin-1-yl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is YOUBTDMSCRXZEW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-19-14(18)11-10-17-12(15-11)6-5-7-13(17)16-8-3-4-9-16/h5-7,10,12,15H,2-4,8-9H2,1H3/t12-/m1/s1.
What are the key properties of ethyl (8aR)-5-pyrrolidin-1-yl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
ethyl (8aR)-5-pyrrolidin-1-yl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (8aR)-5-pyrrolidin-1-yl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 94063595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).