propan-2-yl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate

C11H12N2O2 — CID 135395771

IUPACpropan-2-yl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1cc2ccncc2[nH]1
InChIInChI=1S/C11H12N2O2/c1-7(2)15-11(14)9-5-8-3-4-12-6-10(8)13-9/h3-7,13H,1-2H3
InChIKeyJSFNCGFGBTXAGH-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.13
Rot. Bonds2

About propan-2-yl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate

propan-2-yl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate (PubChem CID 135395771) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is propan-2-yl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate
PubChem CID135395771
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namepropan-2-yl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1cc2ccncc2[nH]1
InChIInChI=1S/C11H12N2O2/c1-7(2)15-11(14)9-5-8-3-4-12-6-10(8)13-9/h3-7,13H,1-2H3
InChIKeyJSFNCGFGBTXAGH-UHFFFAOYSA-N
XLogP2.13
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate?
The IUPAC name of propan-2-yl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate (CID 135395771) is propan-2-yl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate is CC(C)OC(=O)c1cc2ccncc2[nH]1.
What is the InChIKey of propan-2-yl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate?
The InChIKey is JSFNCGFGBTXAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7(2)15-11(14)9-5-8-3-4-12-6-10(8)13-9/h3-7,13H,1-2H3.
What are the key properties of propan-2-yl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate?
propan-2-yl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate has a molecular weight of 204.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 135395771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).