2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-ide;tungsten

C7H13N2W- — CID 155621611

IUPAC2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-ide;tungsten
SMILESC1CC2CNCCC2[N-]1.[W]
InChIInChI=1S/C7H13N2.W/c1-4-9-7-2-3-8-5-6(1)7;/h6-8H,1-5H2;/q-1;
InChIKeyYSBGNXHAXYGTFR-UHFFFAOYSA-N
MW309.04 g/mol
LogP0.74
Rot. Bonds

About 2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-ide;tungsten

2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-ide;tungsten (PubChem CID 155621611) has the molecular formula C7H13N2W- and a molecular weight of 309.04 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-ide;tungsten.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-ide;tungsten
PubChem CID155621611
Molecular FormulaC7H13N2W-
Molecular Weight309.04 g/mol
Exact Mass309.06
IUPAC Name2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-ide;tungsten
SMILESC1CC2CNCCC2[N-]1.[W]
InChIInChI=1S/C7H13N2.W/c1-4-9-7-2-3-8-5-6(1)7;/h6-8H,1-5H2;/q-1;
InChIKeyYSBGNXHAXYGTFR-UHFFFAOYSA-N
XLogP0.74
TPSA26.13 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.04
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane
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CID 131638052
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CID 23282823
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CID 92720083
(4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine
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1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine
CID 135184580
3-(6-oxaspiro[4.5]decan-9-yl)piperidine
CID 104680600
(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine
CID 82418792

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-ide;tungsten?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-ide;tungsten (CID 155621611) is 2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-ide;tungsten.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-ide;tungsten?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-ide;tungsten is C1CC2CNCCC2[N-]1.[W].
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-ide;tungsten?
The InChIKey is YSBGNXHAXYGTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N2.W/c1-4-9-7-2-3-8-5-6(1)7;/h6-8H,1-5H2;/q-1;.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-ide;tungsten?
2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-ide;tungsten has a molecular weight of 309.04 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-ide;tungsten is sourced from PubChem (CID 155621611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).