(E)-N-methoxy-1-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanimine

C15H13N3O — CID 87653135

IUPAC(E)-N-methoxy-1-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanimine
SMILESCO/N=C(\c1ccccc1)c1cnc2[nH]ccc2c1
InChIInChI=1S/C15H13N3O/c1-19-18-14(11-5-3-2-4-6-11)13-9-12-7-8-16-15(12)17-10-13/h2-10H,1H3,(H,16,17)/b18-14+
InChIKeyBVWSHVUYQQTOQI-NBVRZTHBSA-N
MW251.29 g/mol
LogP2.96
Rot. Bonds3

About (E)-N-methoxy-1-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanimine

(E)-N-methoxy-1-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanimine (PubChem CID 87653135) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is (E)-N-methoxy-1-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanimine
PubChem CID87653135
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name(E)-N-methoxy-1-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanimine
SMILESCO/N=C(\c1ccccc1)c1cnc2[nH]ccc2c1
InChIInChI=1S/C15H13N3O/c1-19-18-14(11-5-3-2-4-6-11)13-9-12-7-8-16-15(12)17-10-13/h2-10H,1H3,(H,16,17)/b18-14+
InChIKeyBVWSHVUYQQTOQI-NBVRZTHBSA-N
XLogP2.96
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (E)-N-methoxy-1-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanimine?
The IUPAC name of (E)-N-methoxy-1-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanimine (CID 87653135) is (E)-N-methoxy-1-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanimine.
What is the SMILES notation for (E)-N-methoxy-1-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanimine?
The canonical SMILES for (E)-N-methoxy-1-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanimine is CO/N=C(\c1ccccc1)c1cnc2[nH]ccc2c1.
What is the InChIKey of (E)-N-methoxy-1-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanimine?
The InChIKey is BVWSHVUYQQTOQI-NBVRZTHBSA-N. The full InChI is InChI=1S/C15H13N3O/c1-19-18-14(11-5-3-2-4-6-11)13-9-12-7-8-16-15(12)17-10-13/h2-10H,1H3,(H,16,17)/b18-14+.
What are the key properties of (E)-N-methoxy-1-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanimine?
(E)-N-methoxy-1-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanimine has a molecular weight of 251.29 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanimine is sourced from PubChem (CID 87653135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).