ethane;1-imidazo[1,2-a]pyridin-7-ylpropan-1-one

C12H16N2O — CID 143707099

IUPACethane;1-imidazo[1,2-a]pyridin-7-ylpropan-1-one
SMILESCC.CCC(=O)c1ccn2ccnc2c1
InChIInChI=1S/C10H10N2O.C2H6/c1-2-9(13)8-3-5-12-6-4-11-10(12)7-8;1-2/h3-7H,2H2,1H3;1-2H3
InChIKeyQLECIYRQUAPELP-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.95
Rot. Bonds2

About ethane;1-imidazo[1,2-a]pyridin-7-ylpropan-1-one

ethane;1-imidazo[1,2-a]pyridin-7-ylpropan-1-one (PubChem CID 143707099) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is ethane;1-imidazo[1,2-a]pyridin-7-ylpropan-1-one.

Molecular Properties

Compound Nameethane;1-imidazo[1,2-a]pyridin-7-ylpropan-1-one
PubChem CID143707099
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Nameethane;1-imidazo[1,2-a]pyridin-7-ylpropan-1-one
SMILESCC.CCC(=O)c1ccn2ccnc2c1
InChIInChI=1S/C10H10N2O.C2H6/c1-2-9(13)8-3-5-12-6-4-11-10(12)7-8;1-2/h3-7H,2H2,1H3;1-2H3
InChIKeyQLECIYRQUAPELP-UHFFFAOYSA-N
XLogP2.95
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-imidazo[1,2-a]pyridin-7-ylpropan-1-one?
The IUPAC name of ethane;1-imidazo[1,2-a]pyridin-7-ylpropan-1-one (CID 143707099) is ethane;1-imidazo[1,2-a]pyridin-7-ylpropan-1-one.
What is the SMILES notation for ethane;1-imidazo[1,2-a]pyridin-7-ylpropan-1-one?
The canonical SMILES for ethane;1-imidazo[1,2-a]pyridin-7-ylpropan-1-one is CC.CCC(=O)c1ccn2ccnc2c1.
What is the InChIKey of ethane;1-imidazo[1,2-a]pyridin-7-ylpropan-1-one?
The InChIKey is QLECIYRQUAPELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O.C2H6/c1-2-9(13)8-3-5-12-6-4-11-10(12)7-8;1-2/h3-7H,2H2,1H3;1-2H3.
What are the key properties of ethane;1-imidazo[1,2-a]pyridin-7-ylpropan-1-one?
ethane;1-imidazo[1,2-a]pyridin-7-ylpropan-1-one has a molecular weight of 204.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-imidazo[1,2-a]pyridin-7-ylpropan-1-one is sourced from PubChem (CID 143707099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).