2-methyl-8-nitro-5-propoxy-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine

C11H19N3O3 — CID 118510562

IUPAC2-methyl-8-nitro-5-propoxy-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine
SMILESCCCOC1CCC([N+](=O)[O-])=C2NC(C)CN21
InChIInChI=1S/C11H19N3O3/c1-3-6-17-10-5-4-9(14(15)16)11-12-8(2)7-13(10)11/h8,10,12H,3-7H2,1-2H3
InChIKeyCXLCFJZQXRXFCN-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.27
Rot. Bonds4

About 2-methyl-8-nitro-5-propoxy-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine

2-methyl-8-nitro-5-propoxy-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine (PubChem CID 118510562) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methyl-8-nitro-5-propoxy-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-methyl-8-nitro-5-propoxy-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine
PubChem CID118510562
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-methyl-8-nitro-5-propoxy-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine
SMILESCCCOC1CCC([N+](=O)[O-])=C2NC(C)CN21
InChIInChI=1S/C11H19N3O3/c1-3-6-17-10-5-4-9(14(15)16)11-12-8(2)7-13(10)11/h8,10,12H,3-7H2,1-2H3
InChIKeyCXLCFJZQXRXFCN-UHFFFAOYSA-N
XLogP1.27
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-nitro-5-propoxy-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine?
The IUPAC name of 2-methyl-8-nitro-5-propoxy-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine (CID 118510562) is 2-methyl-8-nitro-5-propoxy-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-methyl-8-nitro-5-propoxy-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-methyl-8-nitro-5-propoxy-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine is CCCOC1CCC([N+](=O)[O-])=C2NC(C)CN21.
What is the InChIKey of 2-methyl-8-nitro-5-propoxy-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine?
The InChIKey is CXLCFJZQXRXFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-6-17-10-5-4-9(14(15)16)11-12-8(2)7-13(10)11/h8,10,12H,3-7H2,1-2H3.
What are the key properties of 2-methyl-8-nitro-5-propoxy-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine?
2-methyl-8-nitro-5-propoxy-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine has a molecular weight of 241.29 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-nitro-5-propoxy-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 118510562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).