tert-butyl 6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate

C12H16N2O2 — CID 175484015

IUPACtert-butyl 6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1C=C2C=CN=C2CC1
InChIInChI=1S/C12H16N2O2/c1-12(2,3)16-11(15)14-7-5-10-9(8-14)4-6-13-10/h4,6,8H,5,7H2,1-3H3
InChIKeyOGKJVZXKZYPKIH-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.48
Rot. Bonds

About tert-butyl 6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate

tert-butyl 6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate (PubChem CID 175484015) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is tert-butyl 6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate
PubChem CID175484015
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Nametert-butyl 6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1C=C2C=CN=C2CC1
InChIInChI=1S/C12H16N2O2/c1-12(2,3)16-11(15)14-7-5-10-9(8-14)4-6-13-10/h4,6,8H,5,7H2,1-3H3
InChIKeyOGKJVZXKZYPKIH-UHFFFAOYSA-N
XLogP2.48
TPSA41.90 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 ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-methyl-2H-azete-1-carboxylate
CID 163575848
1-O-tert-butyl 4-O-ethyl 2,3-dihydropyrrole-1,4-dicarboxylate
CID 11806783
tert-butyl 5-pyrrolidin-1-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 58101280
ditert-butyl 2H-pyridine-1,4-dicarboxylate
CID 150752539
tert-butyl 6-pyrimidin-5-yl-2,3,4,5-tetrahydroazepine-1-carboxylate
CID 154779324
tert-butyl 5H-pyrazolo[3,4-d]azepine-6-carboxylate
CID 67391440
CID 18316592
CID 18316592
ditert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrazine-1,4-dicarboxylate
CID 172643955
tert-butyl 5-(6-amino-3-pyridinyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 137425775
tert-butyl 4-methyl-5-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 170908019
4-O-benzyl 1-O-tert-butyl 2,3-dihydropyrrole-1,4-dicarboxylate
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tert-butyl 9H-1,4-benzodiazepine-8-carboxylate
CID 162005125

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate (CID 175484015) is tert-butyl 6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate is CC(C)(C)OC(=O)N1C=C2C=CN=C2CC1.
What is the InChIKey of tert-butyl 6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate?
The InChIKey is OGKJVZXKZYPKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(2,3)16-11(15)14-7-5-10-9(8-14)4-6-13-10/h4,6,8H,5,7H2,1-3H3.
What are the key properties of tert-butyl 6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate?
tert-butyl 6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate is sourced from PubChem (CID 175484015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).