2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde

C11H16N2O — CID 83830229

IUPAC2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC(C)c1nc2n(c1C=O)CCCC2
InChIInChI=1S/C11H16N2O/c1-8(2)11-9(7-14)13-6-4-3-5-10(13)12-11/h7-8H,3-6H2,1-2H3
InChIKeyURWQPXWPIZQLSJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.16
Rot. Bonds2

About 2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde

2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 83830229) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID83830229
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC(C)c1nc2n(c1C=O)CCCC2
InChIInChI=1S/C11H16N2O/c1-8(2)11-9(7-14)13-6-4-3-5-10(13)12-11/h7-8H,3-6H2,1-2H3
InChIKeyURWQPXWPIZQLSJ-UHFFFAOYSA-N
XLogP2.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 82123432
3-bromo-2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 83681530
2-amino-2-(2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 83842555
2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 82120163
2-[(2R)-butan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 125451701
2-[(2S)-3-methylbutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 125453760
2-propan-2-yl-5,6,7,8-tetrahydroindolizine-3-carbaldehyde
CID 165492117
2-(1-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine
CID 131218475
ethane;3-methyl-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione
CID 143847945
6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carbaldehyde
CID 26967189
2-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82392180
2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid
CID 62938208

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde (CID 83830229) is 2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde is CC(C)c1nc2n(c1C=O)CCCC2.
What is the InChIKey of 2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is URWQPXWPIZQLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(2)11-9(7-14)13-6-4-3-5-10(13)12-11/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde?
2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 192.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 83830229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).