tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate

C12H16N2O2 — CID 11020412

IUPACtert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cnccc21
InChIInChI=1S/C12H16N2O2/c1-12(2,3)16-11(15)14-7-5-9-8-13-6-4-10(9)14/h4,6,8H,5,7H2,1-3H3
InChIKeyUYVCYBCSPBEFJR-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.38
Rot. Bonds

About tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate

tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate (PubChem CID 11020412) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate
PubChem CID11020412
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Nametert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cnccc21
InChIInChI=1S/C12H16N2O2/c1-12(2,3)16-11(15)14-7-5-9-8-13-6-4-10(9)14/h4,6,8H,5,7H2,1-3H3
InChIKeyUYVCYBCSPBEFJR-UHFFFAOYSA-N
XLogP2.38
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate (CID 11020412) is tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CCc2cnccc21.
What is the InChIKey of tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate?
The InChIKey is UYVCYBCSPBEFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(2,3)16-11(15)14-7-5-9-8-13-6-4-10(9)14/h4,6,8H,5,7H2,1-3H3.
What are the key properties of tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate?
tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate is sourced from PubChem (CID 11020412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).