2-[(8aR)-1,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-methylprop-2-enamide

C11H15N3O — CID 135202509

IUPAC2-[(8aR)-1,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-methylprop-2-enamide
SMILESC=C(C(=O)NC)C1=CN[C@H]2C=CCCN12
InChIInChI=1S/C11H15N3O/c1-8(11(15)12-2)9-7-13-10-5-3-4-6-14(9)10/h3,5,7,10,13H,1,4,6H2,2H3,(H,12,15)/t10-/m1/s1
InChIKeyXPJLVJRXJGLZEN-SNVBAGLBSA-N
MW205.26 g/mol
LogP0.32
Rot. Bonds2

About 2-[(8aR)-1,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-methylprop-2-enamide

2-[(8aR)-1,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-methylprop-2-enamide (PubChem CID 135202509) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[(8aR)-1,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name2-[(8aR)-1,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-methylprop-2-enamide
PubChem CID135202509
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-[(8aR)-1,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-methylprop-2-enamide
SMILESC=C(C(=O)NC)C1=CN[C@H]2C=CCCN12
InChIInChI=1S/C11H15N3O/c1-8(11(15)12-2)9-7-13-10-5-3-4-6-14(9)10/h3,5,7,10,13H,1,4,6H2,2H3,(H,12,15)/t10-/m1/s1
InChIKeyXPJLVJRXJGLZEN-SNVBAGLBSA-N
XLogP0.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(8aR)-1,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-methylprop-2-enamide?
The IUPAC name of 2-[(8aR)-1,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-methylprop-2-enamide (CID 135202509) is 2-[(8aR)-1,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-methylprop-2-enamide.
What is the SMILES notation for 2-[(8aR)-1,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-methylprop-2-enamide?
The canonical SMILES for 2-[(8aR)-1,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-methylprop-2-enamide is C=C(C(=O)NC)C1=CN[C@H]2C=CCCN12.
What is the InChIKey of 2-[(8aR)-1,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-methylprop-2-enamide?
The InChIKey is XPJLVJRXJGLZEN-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(11(15)12-2)9-7-13-10-5-3-4-6-14(9)10/h3,5,7,10,13H,1,4,6H2,2H3,(H,12,15)/t10-/m1/s1.
What are the key properties of 2-[(8aR)-1,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-methylprop-2-enamide?
2-[(8aR)-1,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-methylprop-2-enamide has a molecular weight of 205.26 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8aR)-1,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-methylprop-2-enamide is sourced from PubChem (CID 135202509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).