(E)-8-imidazo[1,5-a]pyridin-5-yloct-2-enoic acid

C15H18N2O2 — CID 13206150

IUPAC(E)-8-imidazo[1,5-a]pyridin-5-yloct-2-enoic acid
SMILESO=C(O)/C=C/CCCCCc1cccc2cncn12
InChIInChI=1S/C15H18N2O2/c18-15(19)10-5-3-1-2-4-7-13-8-6-9-14-11-16-12-17(13)14/h5-6,8-12H,1-4,7H2,(H,18,19)/b10-5+
InChIKeyKOKNUQYOIAQRQW-BJMVGYQFSA-N
MW258.32 g/mol
LogP3.08
Rot. Bonds7

About (E)-8-imidazo[1,5-a]pyridin-5-yloct-2-enoic acid

(E)-8-imidazo[1,5-a]pyridin-5-yloct-2-enoic acid (PubChem CID 13206150) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (E)-8-imidazo[1,5-a]pyridin-5-yloct-2-enoic acid.

Molecular Properties

Compound Name(E)-8-imidazo[1,5-a]pyridin-5-yloct-2-enoic acid
PubChem CID13206150
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(E)-8-imidazo[1,5-a]pyridin-5-yloct-2-enoic acid
SMILESO=C(O)/C=C/CCCCCc1cccc2cncn12
InChIInChI=1S/C15H18N2O2/c18-15(19)10-5-3-1-2-4-7-13-8-6-9-14-11-16-12-17(13)14/h5-6,8-12H,1-4,7H2,(H,18,19)/b10-5+
InChIKeyKOKNUQYOIAQRQW-BJMVGYQFSA-N
XLogP3.08
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-8-imidazo[1,5-a]pyridin-5-yloct-2-enoic acid?
The IUPAC name of (E)-8-imidazo[1,5-a]pyridin-5-yloct-2-enoic acid (CID 13206150) is (E)-8-imidazo[1,5-a]pyridin-5-yloct-2-enoic acid.
What is the SMILES notation for (E)-8-imidazo[1,5-a]pyridin-5-yloct-2-enoic acid?
The canonical SMILES for (E)-8-imidazo[1,5-a]pyridin-5-yloct-2-enoic acid is O=C(O)/C=C/CCCCCc1cccc2cncn12.
What is the InChIKey of (E)-8-imidazo[1,5-a]pyridin-5-yloct-2-enoic acid?
The InChIKey is KOKNUQYOIAQRQW-BJMVGYQFSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15(19)10-5-3-1-2-4-7-13-8-6-9-14-11-16-12-17(13)14/h5-6,8-12H,1-4,7H2,(H,18,19)/b10-5+.
What are the key properties of (E)-8-imidazo[1,5-a]pyridin-5-yloct-2-enoic acid?
(E)-8-imidazo[1,5-a]pyridin-5-yloct-2-enoic acid has a molecular weight of 258.32 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-imidazo[1,5-a]pyridin-5-yloct-2-enoic acid is sourced from PubChem (CID 13206150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).