5,6,7,8-tetrahydroindolizine-8-carbaldehyde

C9H11NO — CID 130026124

IUPAC5,6,7,8-tetrahydroindolizine-8-carbaldehyde
SMILESO=CC1CCCn2cccc21
InChIInChI=1S/C9H11NO/c11-7-8-3-1-5-10-6-2-4-9(8)10/h2,4,6-8H,1,3,5H2
InChIKeyFUPNPYGFFSLNEV-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.56
Rot. Bonds1

About 5,6,7,8-tetrahydroindolizine-8-carbaldehyde

5,6,7,8-tetrahydroindolizine-8-carbaldehyde (PubChem CID 130026124) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroindolizine-8-carbaldehyde.

Molecular Properties

Compound Name5,6,7,8-tetrahydroindolizine-8-carbaldehyde
PubChem CID130026124
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name5,6,7,8-tetrahydroindolizine-8-carbaldehyde
SMILESO=CC1CCCn2cccc21
InChIInChI=1S/C9H11NO/c11-7-8-3-1-5-10-6-2-4-9(8)10/h2,4,6-8H,1,3,5H2
InChIKeyFUPNPYGFFSLNEV-UHFFFAOYSA-N
XLogP1.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.56
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

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(1S)-1-thiophen-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
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trans-(1S,2R)-2-(1-methylpyrrol-2-yl)cyclopentane-1-carbaldehyde
CID 11513848
1-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
CID 42656257
1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;oxalic acid
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(1R)-N-cyclohexyl-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387630
1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-amine
CID 89009612
(2E,4E)-1,6-bis(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexa-2,4-diene-1,6-dione
CID 166197770
ethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 13077382

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroindolizine-8-carbaldehyde?
The IUPAC name of 5,6,7,8-tetrahydroindolizine-8-carbaldehyde (CID 130026124) is 5,6,7,8-tetrahydroindolizine-8-carbaldehyde.
What is the SMILES notation for 5,6,7,8-tetrahydroindolizine-8-carbaldehyde?
The canonical SMILES for 5,6,7,8-tetrahydroindolizine-8-carbaldehyde is O=CC1CCCn2cccc21.
What is the InChIKey of 5,6,7,8-tetrahydroindolizine-8-carbaldehyde?
The InChIKey is FUPNPYGFFSLNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-7-8-3-1-5-10-6-2-4-9(8)10/h2,4,6-8H,1,3,5H2.
What are the key properties of 5,6,7,8-tetrahydroindolizine-8-carbaldehyde?
5,6,7,8-tetrahydroindolizine-8-carbaldehyde has a molecular weight of 149.19 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroindolizine-8-carbaldehyde is sourced from PubChem (CID 130026124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).