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

C7H12N2-2 — CID 145007707

IUPAC3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1,5-diide
SMILESC1CC2[N-]CCC2C[N-]1
InChIInChI=1S/C7H12N2/c1-4-9-7-2-3-8-5-6(1)7/h6-7H,1-5H2/q-2
InChIKeyMQVQMSRSEGENRF-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.53
Rot. Bonds

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

3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1,5-diide (PubChem CID 145007707) has the molecular formula C7H12N2-2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1,5-diide.

Molecular Properties

Compound Name3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1,5-diide
PubChem CID145007707
Molecular FormulaC7H12N2-2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1,5-diide
SMILESC1CC2[N-]CCC2C[N-]1
InChIInChI=1S/C7H12N2/c1-4-9-7-2-3-8-5-6(1)7/h6-7H,1-5H2/q-2
InChIKeyMQVQMSRSEGENRF-UHFFFAOYSA-N
XLogP1.53
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-ide;2-methylpropane;uranium(2+)
CID 59783806
2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-ide;tungsten
CID 155621611
azanide;tris(cadmium(2+));bis(4-piperidin-1-id-4-ylpiperidin-1-ide);dihydrate
CID 5256520
magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide)
CID 11033935
pyrrolidin-1-id-3-ol
CID 19746377
potassium tert-butyl 2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-ide-5-carboxylate
CID 145242253
bis(4-methyl-2-(4-methylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+);diisothiocyanate
CID 59557483
5-tert-butyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-ide;2-methylpropane;uranium(2+)
CID 59783764
2-methyl-azanidacyclopropane;tantalum
CID 59089984
piperidin-1-id-3-ylazanide;tris(yttrium)
CID 58376224
piperidin-1-id-4-ol;yttrium
CID 59420866
potassium piperidin-1-id-4-amine
CID 162754508

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1,5-diide?
The IUPAC name of 3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1,5-diide (CID 145007707) is 3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1,5-diide.
What is the SMILES notation for 3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1,5-diide?
The canonical SMILES for 3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1,5-diide is C1CC2[N-]CCC2C[N-]1.
What is the InChIKey of 3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1,5-diide?
The InChIKey is MQVQMSRSEGENRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-9-7-2-3-8-5-6(1)7/h6-7H,1-5H2/q-2.
What are the key properties of 3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1,5-diide?
3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1,5-diide has a molecular weight of 124.19 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1,5-diide is sourced from PubChem (CID 145007707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).