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2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C17H22N4 — CID 66210118

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCCC1C2CNCC2CN1c1nc2c(cc1C#N)CCC2
InChIInChI=1S/C17H22N4/c1-2-16-14-9-19-8-13(14)10-21(16)17-12(7-18)6-11-4-3-5-15(11)20-17/h6,13-14,16,19H,2-5,8-10H2,1H3
InChIKeyDGXXNEMMRWAKRC-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.88
Rot. Bonds2

About 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 66210118) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID66210118
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCCC1C2CNCC2CN1c1nc2c(cc1C#N)CCC2
InChIInChI=1S/C17H22N4/c1-2-16-14-9-19-8-13(14)10-21(16)17-12(7-18)6-11-4-3-5-15(11)20-17/h6,13-14,16,19H,2-5,8-10H2,1H3
InChIKeyDGXXNEMMRWAKRC-UHFFFAOYSA-N
XLogP1.88
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 66210118) is 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CCC1C2CNCC2CN1c1nc2c(cc1C#N)CCC2.
What is the InChIKey of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is DGXXNEMMRWAKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-16-14-9-19-8-13(14)10-21(16)17-12(7-18)6-11-4-3-5-15(11)20-17/h6,13-14,16,19H,2-5,8-10H2,1H3.
What are the key properties of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 282.39 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 66210118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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