1-(5-phenyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone

C15H16N2O — CID 70937776

IUPAC1-(5-phenyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone
SMILESCC(=O)c1cc2c([nH]1)CCN(c1ccccc1)C2
InChIInChI=1S/C15H16N2O/c1-11(18)15-9-12-10-17(8-7-14(12)16-15)13-5-3-2-4-6-13/h2-6,9,16H,7-8,10H2,1H3
InChIKeyRHXSJPAWGLNDOF-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.78
Rot. Bonds2

About 1-(5-phenyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone

1-(5-phenyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone (PubChem CID 70937776) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(5-phenyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-phenyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone
PubChem CID70937776
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-(5-phenyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone
SMILESCC(=O)c1cc2c([nH]1)CCN(c1ccccc1)C2
InChIInChI=1S/C15H16N2O/c1-11(18)15-9-12-10-17(8-7-14(12)16-15)13-5-3-2-4-6-13/h2-6,9,16H,7-8,10H2,1H3
InChIKeyRHXSJPAWGLNDOF-UHFFFAOYSA-N
XLogP2.78
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone?
The IUPAC name of 1-(5-phenyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone (CID 70937776) is 1-(5-phenyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone.
What is the SMILES notation for 1-(5-phenyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone?
The canonical SMILES for 1-(5-phenyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone is CC(=O)c1cc2c([nH]1)CCN(c1ccccc1)C2.
What is the InChIKey of 1-(5-phenyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone?
The InChIKey is RHXSJPAWGLNDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11(18)15-9-12-10-17(8-7-14(12)16-15)13-5-3-2-4-6-13/h2-6,9,16H,7-8,10H2,1H3.
What are the key properties of 1-(5-phenyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone?
1-(5-phenyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone has a molecular weight of 240.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone is sourced from PubChem (CID 70937776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).