6,7-dihydro-5H-pyrrolizine-3-carbaldehyde

C8H9NO — CID 6428138

IUPAC6,7-dihydro-5H-pyrrolizine-3-carbaldehyde
SMILESO=Cc1ccc2n1CCC2
InChIInChI=1S/C8H9NO/c10-6-8-4-3-7-2-1-5-9(7)8/h3-4,6H,1-2,5H2
InChIKeyXDRGCZAFSAFSLR-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.25
Rot. Bonds1

About 6,7-dihydro-5H-pyrrolizine-3-carbaldehyde

6,7-dihydro-5H-pyrrolizine-3-carbaldehyde (PubChem CID 6428138) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolizine-3-carbaldehyde.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolizine-3-carbaldehyde
PubChem CID6428138
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name6,7-dihydro-5H-pyrrolizine-3-carbaldehyde
SMILESO=Cc1ccc2n1CCC2
InChIInChI=1S/C8H9NO/c10-6-8-4-3-7-2-1-5-9(7)8/h3-4,6H,1-2,5H2
InChIKeyXDRGCZAFSAFSLR-UHFFFAOYSA-N
XLogP1.25
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-2-pyrrolecarboxaldehyde
CID 579338
1-(2,3-Dihydro-1H-pyrrolizin-5-yl)ethanone
CID 526559
2,3-Dihydro-5-propanoyl-1H-pyrrolizine
CID 6428844
3H-1,2-dihydro-1-pyrrolizinone
CID 97347
Phenyl(2,3-dihydro-1H-pyrrolizin-5-yl)methanone
CID 71209516
5-acetyl-6-methyl-2,3-dihydro-1H-pyrrolizine
CID 6428845
6-methyl-2,3-dihydro-1H-pyrrolizine-5-carbaldehyde
CID 6429126
(S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-3-carbaldehyde
CID 10014924
5-Benzoyl-2,3-dihydro-1H-pyrrolizin-1-one
CID 57357361
5-acetyl-7-methyl-2,3-dihydro-1H-pyrrolizine
CID 6428862
5-(3-hydroxypropionyl)-2,3-dihydro-1H-pyrrolizine
CID 6428976
1-(2,3-Dihydro-6-methyl-1H-pyrrolizin-5-yl)-1-propanone
CID 45116142

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolizine-3-carbaldehyde?
The IUPAC name of 6,7-dihydro-5H-pyrrolizine-3-carbaldehyde (CID 6428138) is 6,7-dihydro-5H-pyrrolizine-3-carbaldehyde.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolizine-3-carbaldehyde?
The canonical SMILES for 6,7-dihydro-5H-pyrrolizine-3-carbaldehyde is O=Cc1ccc2n1CCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrrolizine-3-carbaldehyde?
The InChIKey is XDRGCZAFSAFSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c10-6-8-4-3-7-2-1-5-9(7)8/h3-4,6H,1-2,5H2.
What are the key properties of 6,7-dihydro-5H-pyrrolizine-3-carbaldehyde?
6,7-dihydro-5H-pyrrolizine-3-carbaldehyde has a molecular weight of 135.17 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolizine-3-carbaldehyde is sourced from PubChem (CID 6428138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).