cyclopropyl indolizine-8-carboxylate

C12H11NO2 — CID 123950659

IUPACcyclopropyl indolizine-8-carboxylate
SMILESO=C(OC1CC1)c1cccn2cccc12
InChIInChI=1S/C12H11NO2/c14-12(15-9-5-6-9)10-3-1-7-13-8-2-4-11(10)13/h1-4,7-9H,5-6H2
InChIKeyHJNYULDRQYUBIE-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.26
Rot. Bonds2

About cyclopropyl indolizine-8-carboxylate

cyclopropyl indolizine-8-carboxylate (PubChem CID 123950659) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is cyclopropyl indolizine-8-carboxylate.

Molecular Properties

Compound Namecyclopropyl indolizine-8-carboxylate
PubChem CID123950659
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Namecyclopropyl indolizine-8-carboxylate
SMILESO=C(OC1CC1)c1cccn2cccc12
InChIInChI=1S/C12H11NO2/c14-12(15-9-5-6-9)10-3-1-7-13-8-2-4-11(10)13/h1-4,7-9H,5-6H2
InChIKeyHJNYULDRQYUBIE-UHFFFAOYSA-N
XLogP2.26
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl indolizine-8-carboxylate?
The IUPAC name of cyclopropyl indolizine-8-carboxylate (CID 123950659) is cyclopropyl indolizine-8-carboxylate.
What is the SMILES notation for cyclopropyl indolizine-8-carboxylate?
The canonical SMILES for cyclopropyl indolizine-8-carboxylate is O=C(OC1CC1)c1cccn2cccc12.
What is the InChIKey of cyclopropyl indolizine-8-carboxylate?
The InChIKey is HJNYULDRQYUBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-12(15-9-5-6-9)10-3-1-7-13-8-2-4-11(10)13/h1-4,7-9H,5-6H2.
What are the key properties of cyclopropyl indolizine-8-carboxylate?
cyclopropyl indolizine-8-carboxylate has a molecular weight of 201.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl indolizine-8-carboxylate is sourced from PubChem (CID 123950659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).