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

C9H20N2 — CID 143810009

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;ethane
SMILESC1CC2CCNC2CN1.CC
InChIInChI=1S/C7H14N2.C2H6/c1-3-8-5-7-6(1)2-4-9-7;1-2/h6-9H,1-5H2;1-2H3
InChIKeyPIWOGMXZYIWPKR-UHFFFAOYSA-N
MW156.27 g/mol
LogP0.98
Rot. Bonds

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

2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;ethane (PubChem CID 143810009) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;ethane.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;ethane
PubChem CID143810009
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;ethane
SMILESC1CC2CCNC2CN1.CC
InChIInChI=1S/C7H14N2.C2H6/c1-3-8-5-7-6(1)2-4-9-7;1-2/h6-9H,1-5H2;1-2H3
InChIKeyPIWOGMXZYIWPKR-UHFFFAOYSA-N
XLogP0.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;ethane?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;ethane (CID 143810009) is 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;ethane.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;ethane?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;ethane is C1CC2CCNC2CN1.CC.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;ethane?
The InChIKey is PIWOGMXZYIWPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C2H6/c1-3-8-5-7-6(1)2-4-9-7;1-2/h6-9H,1-5H2;1-2H3.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;ethane?
2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;ethane has a molecular weight of 156.27 g/mol, XLogP of 0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;ethane is sourced from PubChem (CID 143810009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).