4,5,6,7-tetrahydro-3aH-pyrrolo[2,3-c]pyridine

C7H10N2 — CID 129099367

IUPAC4,5,6,7-tetrahydro-3aH-pyrrolo[2,3-c]pyridine
SMILESC1=CC2CCNCC2=N1
InChIInChI=1S/C7H10N2/c1-3-8-5-7-6(1)2-4-9-7/h2,4,6,8H,1,3,5H2
InChIKeyWXSOHAFDKYSBHM-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.56
Rot. Bonds

About 4,5,6,7-tetrahydro-3aH-pyrrolo[2,3-c]pyridine

4,5,6,7-tetrahydro-3aH-pyrrolo[2,3-c]pyridine (PubChem CID 129099367) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-3aH-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-3aH-pyrrolo[2,3-c]pyridine
PubChem CID129099367
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name4,5,6,7-tetrahydro-3aH-pyrrolo[2,3-c]pyridine
SMILESC1=CC2CCNCC2=N1
InChIInChI=1S/C7H10N2/c1-3-8-5-7-6(1)2-4-9-7/h2,4,6,8H,1,3,5H2
InChIKeyWXSOHAFDKYSBHM-UHFFFAOYSA-N
XLogP0.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-3aH-pyrrolo[2,3-c]pyridine?
The IUPAC name of 4,5,6,7-tetrahydro-3aH-pyrrolo[2,3-c]pyridine (CID 129099367) is 4,5,6,7-tetrahydro-3aH-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 4,5,6,7-tetrahydro-3aH-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 4,5,6,7-tetrahydro-3aH-pyrrolo[2,3-c]pyridine is C1=CC2CCNCC2=N1.
What is the InChIKey of 4,5,6,7-tetrahydro-3aH-pyrrolo[2,3-c]pyridine?
The InChIKey is WXSOHAFDKYSBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-3-8-5-7-6(1)2-4-9-7/h2,4,6,8H,1,3,5H2.
What are the key properties of 4,5,6,7-tetrahydro-3aH-pyrrolo[2,3-c]pyridine?
4,5,6,7-tetrahydro-3aH-pyrrolo[2,3-c]pyridine has a molecular weight of 122.17 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-3aH-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 129099367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).