(4R)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole-4-carbaldehyde

C7H12N2O — CID 170446091

IUPAC(4R)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole-4-carbaldehyde
SMILESO=C[C@@H]1NCC2NCCC21
InChIInChI=1S/C7H12N2O/c10-4-7-5-1-2-8-6(5)3-9-7/h4-9H,1-3H2/t5?,6?,7-/m0/s1
InChIKeyQKIQAYSZXSFDJN-AHXFUIDQSA-N
MW140.19 g/mol
LogP-0.86
Rot. Bonds1

About (4R)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole-4-carbaldehyde

(4R)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole-4-carbaldehyde (PubChem CID 170446091) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (4R)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole-4-carbaldehyde.

Molecular Properties

Compound Name(4R)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole-4-carbaldehyde
PubChem CID170446091
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(4R)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole-4-carbaldehyde
SMILESO=C[C@@H]1NCC2NCCC21
InChIInChI=1S/C7H12N2O/c10-4-7-5-1-2-8-6(5)3-9-7/h4-9H,1-3H2/t5?,6?,7-/m0/s1
InChIKeyQKIQAYSZXSFDJN-AHXFUIDQSA-N
XLogP-0.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 87354624
(1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 89128835
(3R)-3-aminopyrrolidine-2-carbaldehyde
CID 174720036
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbaldehyde
CID 18411511
(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbaldehyde
CID 89040013
(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole-4-carbaldehyde
CID 89149437
(3R)-3-hydroxypyrrolidine-2-carbaldehyde
CID 174721320
(2S,3R)-3-methylpyrrolidine-2-carbaldehyde
CID 87667712
3-amino-6-azidoazepane-2-carbaldehyde
CID 174493931
ethyl (3aS,4R,6aR)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole-4-carboxylate
CID 170446159
(4S,6aR)-2,2-dimethyl-3,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole-4-carbaldehyde;bis((1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde)
CID 159328683
4-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
CID 176800681

Frequently Asked Questions

What is the IUPAC name of (4R)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole-4-carbaldehyde?
The IUPAC name of (4R)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole-4-carbaldehyde (CID 170446091) is (4R)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole-4-carbaldehyde.
What is the SMILES notation for (4R)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole-4-carbaldehyde?
The canonical SMILES for (4R)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole-4-carbaldehyde is O=C[C@@H]1NCC2NCCC21.
What is the InChIKey of (4R)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole-4-carbaldehyde?
The InChIKey is QKIQAYSZXSFDJN-AHXFUIDQSA-N. The full InChI is InChI=1S/C7H12N2O/c10-4-7-5-1-2-8-6(5)3-9-7/h4-9H,1-3H2/t5?,6?,7-/m0/s1.
What are the key properties of (4R)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole-4-carbaldehyde?
(4R)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole-4-carbaldehyde has a molecular weight of 140.19 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole-4-carbaldehyde is sourced from PubChem (CID 170446091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).