2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine

C13H18N2 — CID 123625268

IUPAC2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine
SMILESc1ccc(C2CC3CNCCC3N2)cc1
InChIInChI=1S/C13H18N2/c1-2-4-10(5-3-1)13-8-11-9-14-7-6-12(11)15-13/h1-5,11-15H,6-9H2
InChIKeyDMXDRAXNLRDYPD-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.70
Rot. Bonds1

About 2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine

2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine (PubChem CID 123625268) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine
PubChem CID123625268
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine
SMILESc1ccc(C2CC3CNCCC3N2)cc1
InChIInChI=1S/C13H18N2/c1-2-4-10(5-3-1)13-8-11-9-14-7-6-12(11)15-13/h1-5,11-15H,6-9H2
InChIKeyDMXDRAXNLRDYPD-UHFFFAOYSA-N
XLogP1.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine (CID 123625268) is 2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine is c1ccc(C2CC3CNCCC3N2)cc1.
What is the InChIKey of 2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is DMXDRAXNLRDYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-4-10(5-3-1)13-8-11-9-14-7-6-12(11)15-13/h1-5,11-15H,6-9H2.
What are the key properties of 2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine?
2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 202.30 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 123625268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).