3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carbaldehyde

C11H14N2O — CID 83829529

IUPAC3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carbaldehyde
SMILESO=CC1CCCc2cnc(C3CC3)n21
InChIInChI=1S/C11H14N2O/c14-7-10-3-1-2-9-6-12-11(13(9)10)8-4-5-8/h6-8,10H,1-5H2
InChIKeyXBFMRGKZWICEBL-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.84
Rot. Bonds2

About 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carbaldehyde

3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carbaldehyde (PubChem CID 83829529) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carbaldehyde
PubChem CID83829529
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carbaldehyde
SMILESO=CC1CCCc2cnc(C3CC3)n21
InChIInChI=1S/C11H14N2O/c14-7-10-3-1-2-9-6-12-11(13(9)10)8-4-5-8/h6-8,10H,1-5H2
InChIKeyXBFMRGKZWICEBL-UHFFFAOYSA-N
XLogP1.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carbaldehyde?
The IUPAC name of 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carbaldehyde (CID 83829529) is 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carbaldehyde.
What is the SMILES notation for 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carbaldehyde?
The canonical SMILES for 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carbaldehyde is O=CC1CCCc2cnc(C3CC3)n21.
What is the InChIKey of 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carbaldehyde?
The InChIKey is XBFMRGKZWICEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c14-7-10-3-1-2-9-6-12-11(13(9)10)8-4-5-8/h6-8,10H,1-5H2.
What are the key properties of 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carbaldehyde?
3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carbaldehyde has a molecular weight of 190.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carbaldehyde is sourced from PubChem (CID 83829529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).