8-isocyanato-2-propan-2-ylimidazo[1,2-a]pyridine

C11H11N3O — CID 83916142

IUPAC8-isocyanato-2-propan-2-ylimidazo[1,2-a]pyridine
SMILESCC(C)c1cn2cccc(N=C=O)c2n1
InChIInChI=1S/C11H11N3O/c1-8(2)10-6-14-5-3-4-9(12-7-15)11(14)13-10/h3-6,8H,1-2H3
InChIKeyRKULETPPQGPPIE-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.42
Rot. Bonds2

About 8-isocyanato-2-propan-2-ylimidazo[1,2-a]pyridine

8-isocyanato-2-propan-2-ylimidazo[1,2-a]pyridine (PubChem CID 83916142) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 8-isocyanato-2-propan-2-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-isocyanato-2-propan-2-ylimidazo[1,2-a]pyridine
PubChem CID83916142
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name8-isocyanato-2-propan-2-ylimidazo[1,2-a]pyridine
SMILESCC(C)c1cn2cccc(N=C=O)c2n1
InChIInChI=1S/C11H11N3O/c1-8(2)10-6-14-5-3-4-9(12-7-15)11(14)13-10/h3-6,8H,1-2H3
InChIKeyRKULETPPQGPPIE-UHFFFAOYSA-N
XLogP2.42
TPSA46.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-yl-7H-imidazo[1,2-a]pyrazin-8-one
CID 131123024
2-methyl-3-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)oxypropanethioamide
CID 82147622
benzene;1,2-diisocyanatobenzene
CID 159551146
1,2-diisocyanatobenzene;ethene
CID 159765986
1-isocyanato-2-(2-isocyanatophenyl)benzene
CID 15935085
5-isocyanato-1-methyl-3-propan-2-ylimidazo[1,5-a]pyridine
CID 83917144
2-bromo-1,3-diisocyanatobenzene;ethane
CID 159499230
1-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)ethanol
CID 156533063
1-(2-propan-2-ylimidazo[1,2-a]pyridin-7-yl)propan-2-one
CID 83835910
ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 59280012
7-propan-2-ylimidazo[2,1-c][1,2,4]triazine
CID 130267893
1,2-diisocyanatobenzene;1,4-diisocyanatobenzene
CID 160659088

Frequently Asked Questions

What is the IUPAC name of 8-isocyanato-2-propan-2-ylimidazo[1,2-a]pyridine?
The IUPAC name of 8-isocyanato-2-propan-2-ylimidazo[1,2-a]pyridine (CID 83916142) is 8-isocyanato-2-propan-2-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 8-isocyanato-2-propan-2-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 8-isocyanato-2-propan-2-ylimidazo[1,2-a]pyridine is CC(C)c1cn2cccc(N=C=O)c2n1.
What is the InChIKey of 8-isocyanato-2-propan-2-ylimidazo[1,2-a]pyridine?
The InChIKey is RKULETPPQGPPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8(2)10-6-14-5-3-4-9(12-7-15)11(14)13-10/h3-6,8H,1-2H3.
What are the key properties of 8-isocyanato-2-propan-2-ylimidazo[1,2-a]pyridine?
8-isocyanato-2-propan-2-ylimidazo[1,2-a]pyridine has a molecular weight of 201.23 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-isocyanato-2-propan-2-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 83916142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).