cis-ethyl (1R,2S)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclopropane-1-carboxylate

C13H14N2O2 — CID 129394247

IUPACcis-ethyl (1R,2S)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@H]1c1cnc2[nH]ccc2c1
InChIInChI=1S/C13H14N2O2/c1-2-17-13(16)11-6-10(11)9-5-8-3-4-14-12(8)15-7-9/h3-5,7,10-11H,2,6H2,1H3,(H,14,15)/t10-,11-/m1/s1
InChIKeyWKOBKBSBABFUCN-GHMZBOCLSA-N
MW230.27 g/mol
LogP2.23
Rot. Bonds3

About cis-ethyl (1R,2S)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclopropane-1-carboxylate

cis-ethyl (1R,2S)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclopropane-1-carboxylate (PubChem CID 129394247) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is cis-ethyl (1R,2S)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2S)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclopropane-1-carboxylate
PubChem CID129394247
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namecis-ethyl (1R,2S)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@H]1c1cnc2[nH]ccc2c1
InChIInChI=1S/C13H14N2O2/c1-2-17-13(16)11-6-10(11)9-5-8-3-4-14-12(8)15-7-9/h3-5,7,10-11H,2,6H2,1H3,(H,14,15)/t10-,11-/m1/s1
InChIKeyWKOBKBSBABFUCN-GHMZBOCLSA-N
XLogP2.23
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-ethyl (1R,2S)-2-(6-bromo-3-pyridinyl)cyclopropane-1-carboxylate
CID 124561675
cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate
CID 15758689
ethyl 3,4-dihydroxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)butanoate
CID 171897537
ethyl 2,3-dihydroxy-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanoate
CID 171866256
trans-ethyl (1R,2R)-2-(5-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 177320992
trans-ethyl (1R,2R)-2-(2-fluoro-4-pyridinyl)cyclopropane-1-carboxylate
CID 90220502
trans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate
CID 129268949
trans-ethyl (1R,2R)-2-[4-(1H-imidazol-5-yl)phenyl]cyclopropane-1-carboxylate
CID 124671256
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
trans-ethyl (1R,2R)-2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 142405028
ethyl 2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 153293789
trans-ethyl (1R,2R)-2-(6-oxo-1H-pyrazin-3-yl)cyclopropane-1-carboxylate
CID 142405041

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2S)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2S)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclopropane-1-carboxylate (CID 129394247) is cis-ethyl (1R,2S)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2S)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2S)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclopropane-1-carboxylate is CCOC(=O)[C@@H]1C[C@@H]1c1cnc2[nH]ccc2c1.
What is the InChIKey of cis-ethyl (1R,2S)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclopropane-1-carboxylate?
The InChIKey is WKOBKBSBABFUCN-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-17-13(16)11-6-10(11)9-5-8-3-4-14-12(8)15-7-9/h3-5,7,10-11H,2,6H2,1H3,(H,14,15)/t10-,11-/m1/s1.
What are the key properties of cis-ethyl (1R,2S)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclopropane-1-carboxylate?
cis-ethyl (1R,2S)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclopropane-1-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2S)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 129394247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).