tert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate

C12H17N3O2 — CID 170899240

IUPACtert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc2c(cn1)CNC2
InChIInChI=1S/C12H17N3O2/c1-12(2,3)17-11(16)15-10-4-8-5-13-6-9(8)7-14-10/h4,7,13H,5-6H2,1-3H3,(H,14,15,16)
InChIKeyRBVCKEIIPAXQCU-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.03
Rot. Bonds1

About tert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate

tert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate (PubChem CID 170899240) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is tert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate
PubChem CID170899240
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Nametert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc2c(cn1)CNC2
InChIInChI=1S/C12H17N3O2/c1-12(2,3)17-11(16)15-10-4-8-5-13-6-9(8)7-14-10/h4,7,13H,5-6H2,1-3H3,(H,14,15,16)
InChIKeyRBVCKEIIPAXQCU-UHFFFAOYSA-N
XLogP2.03
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 86086992
tert-butyl N-(1-acetylpyrazolo[3,4-c]pyridin-5-yl)carbamate
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tert-butyl N-pyrazin-2-ylcarbamate;ethane
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tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate
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tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]carbamate;ethane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate?
The IUPAC name of tert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate (CID 170899240) is tert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate?
The canonical SMILES for tert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate is CC(C)(C)OC(=O)Nc1cc2c(cn1)CNC2.
What is the InChIKey of tert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate?
The InChIKey is RBVCKEIIPAXQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(2,3)17-11(16)15-10-4-8-5-13-6-9(8)7-14-10/h4,7,13H,5-6H2,1-3H3,(H,14,15,16).
What are the key properties of tert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate?
tert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate has a molecular weight of 235.29 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate is sourced from PubChem (CID 170899240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).