1,2,3,6-tetrahydropyridine-6-carbaldehyde

C6H9NO — CID 19932494

IUPAC1,2,3,6-tetrahydropyridine-6-carbaldehyde
SMILESO=CC1C=CCCN1
InChIInChI=1S/C6H9NO/c8-5-6-3-1-2-4-7-6/h1,3,5-7H,2,4H2
InChIKeyMHTDPRULVLQABR-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.10
Rot. Bonds1

About 1,2,3,6-tetrahydropyridine-6-carbaldehyde

1,2,3,6-tetrahydropyridine-6-carbaldehyde (PubChem CID 19932494) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyridine-6-carbaldehyde.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyridine-6-carbaldehyde
PubChem CID19932494
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name1,2,3,6-tetrahydropyridine-6-carbaldehyde
SMILESO=CC1C=CCCN1
InChIInChI=1S/C6H9NO/c8-5-6-3-1-2-4-7-6/h1,3,5-7H,2,4H2
InChIKeyMHTDPRULVLQABR-UHFFFAOYSA-N
XLogP0.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dihydro-pyridine 2-aldehyde
CID 19041112
1,2,3,6-Tetrahydropyridine-3-carbaldehyde
CID 17914034
2-(Cyclohexa-1,4-dien-1-ylamino)acetaldehyde
CID 20293285
2,5-dihydro-1H-pyrrole-2-carbaldehyde
CID 20648808
2-(Cyclohexa-2,4-dien-1-ylamino)acetaldehyde
CID 54379349
(2R)-2,5-dihydro-1H-pyrrole-2-carbaldehyde
CID 56998424
1-methyl-3,6-dihydro-2H-pyridine-6-carbaldehyde
CID 88645244
1,2,3,6-Tetrahydropyridine-2-carbaldehyde
CID 91247650
4-methyl-2,5-dihydro-1H-pyrrole-2-carbaldehyde
CID 144594204
2,5-dihydro-1H-pyrrole-2-carbaldehyde;methoxymethane
CID 145136624
(2S)-2,5-dihydro-1H-pyrrole-2-carbaldehyde;ethane
CID 153353430
(2S)-2,5-dihydro-1H-pyrrole-2-carbaldehyde
CID 153353431

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydropyridine-6-carbaldehyde?
The IUPAC name of 1,2,3,6-tetrahydropyridine-6-carbaldehyde (CID 19932494) is 1,2,3,6-tetrahydropyridine-6-carbaldehyde.
What is the SMILES notation for 1,2,3,6-tetrahydropyridine-6-carbaldehyde?
The canonical SMILES for 1,2,3,6-tetrahydropyridine-6-carbaldehyde is O=CC1C=CCCN1.
What is the InChIKey of 1,2,3,6-tetrahydropyridine-6-carbaldehyde?
The InChIKey is MHTDPRULVLQABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c8-5-6-3-1-2-4-7-6/h1,3,5-7H,2,4H2.
What are the key properties of 1,2,3,6-tetrahydropyridine-6-carbaldehyde?
1,2,3,6-tetrahydropyridine-6-carbaldehyde has a molecular weight of 111.14 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetrahydropyridine-6-carbaldehyde is sourced from PubChem (CID 19932494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).