5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)furan-2-carbaldehyde

C14H20N2O2 — CID 79930963

IUPAC5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)furan-2-carbaldehyde
SMILESCC1CN2CCCCC2CN1c1ccc(C=O)o1
InChIInChI=1S/C14H20N2O2/c1-11-8-15-7-3-2-4-12(15)9-16(11)14-6-5-13(10-17)18-14/h5-6,10-12H,2-4,7-9H2,1H3
InChIKeyXXZYZMXGCQTTRS-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.16
Rot. Bonds2

About 5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)furan-2-carbaldehyde

5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)furan-2-carbaldehyde (PubChem CID 79930963) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)furan-2-carbaldehyde
PubChem CID79930963
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)furan-2-carbaldehyde
SMILESCC1CN2CCCCC2CN1c1ccc(C=O)o1
InChIInChI=1S/C14H20N2O2/c1-11-8-15-7-3-2-4-12(15)9-16(11)14-6-5-13(10-17)18-14/h5-6,10-12H,2-4,7-9H2,1H3
InChIKeyXXZYZMXGCQTTRS-UHFFFAOYSA-N
XLogP2.16
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)furan-2-carbaldehyde
CID 62121405
5-(3-methyl-1,4-thiazepan-4-yl)furan-2-carbaldehyde
CID 165460877
5-fluoro-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)benzaldehyde
CID 79938707
5-(2-azabicyclo[2.2.1]heptan-2-yl)furan-2-carbaldehyde
CID 62121921
3-methyl-2-(4-pyrrolidin-1-ylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79922744
3-bromo-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)benzaldehyde
CID 114062229
2-bromo-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)benzaldehyde
CID 114060069
2-(3-chloropyrazin-2-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925406
2-(6-chloropyridazin-3-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925110
2-(2,3-dichlorophenyl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925914
3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)aniline
CID 79931599
3-methyl-2-(4-propylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926456

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)furan-2-carbaldehyde (CID 79930963) is 5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)furan-2-carbaldehyde is CC1CN2CCCCC2CN1c1ccc(C=O)o1.
What is the InChIKey of 5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)furan-2-carbaldehyde?
The InChIKey is XXZYZMXGCQTTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-8-15-7-3-2-4-12(15)9-16(11)14-6-5-13(10-17)18-14/h5-6,10-12H,2-4,7-9H2,1H3.
What are the key properties of 5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)furan-2-carbaldehyde?
5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)furan-2-carbaldehyde has a molecular weight of 248.33 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)furan-2-carbaldehyde is sourced from PubChem (CID 79930963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).