1-(phenylmethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,2-c]pyridin-7-one

C15H16N2O2 — CID 12012000

IUPAC1-(phenylmethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,2-c]pyridin-7-one
SMILESO=C1CNCc2ccn(COCc3ccccc3)c21
InChIInChI=1S/C15H16N2O2/c18-14-9-16-8-13-6-7-17(15(13)14)11-19-10-12-4-2-1-3-5-12/h1-7,16H,8-11H2
InChIKeyILHWAECTRHDGSS-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.95
Rot. Bonds4

About 1-(phenylmethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,2-c]pyridin-7-one

1-(phenylmethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,2-c]pyridin-7-one (PubChem CID 12012000) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(phenylmethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,2-c]pyridin-7-one.

Molecular Properties

Compound Name1-(phenylmethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,2-c]pyridin-7-one
PubChem CID12012000
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-(phenylmethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,2-c]pyridin-7-one
SMILESO=C1CNCc2ccn(COCc3ccccc3)c21
InChIInChI=1S/C15H16N2O2/c18-14-9-16-8-13-6-7-17(15(13)14)11-19-10-12-4-2-1-3-5-12/h1-7,16H,8-11H2
InChIKeyILHWAECTRHDGSS-UHFFFAOYSA-N
XLogP1.95
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-benzyl-4-sulfanylidenepyrimidin-2-one
CID 91621363
CID 66734377
CID 66734377
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-phenylmethoxyethanone
CID 120656792

Frequently Asked Questions

What is the IUPAC name of 1-(phenylmethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,2-c]pyridin-7-one?
The IUPAC name of 1-(phenylmethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,2-c]pyridin-7-one (CID 12012000) is 1-(phenylmethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,2-c]pyridin-7-one.
What is the SMILES notation for 1-(phenylmethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,2-c]pyridin-7-one?
The canonical SMILES for 1-(phenylmethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,2-c]pyridin-7-one is O=C1CNCc2ccn(COCc3ccccc3)c21.
What is the InChIKey of 1-(phenylmethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,2-c]pyridin-7-one?
The InChIKey is ILHWAECTRHDGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-14-9-16-8-13-6-7-17(15(13)14)11-19-10-12-4-2-1-3-5-12/h1-7,16H,8-11H2.
What are the key properties of 1-(phenylmethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,2-c]pyridin-7-one?
1-(phenylmethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,2-c]pyridin-7-one has a molecular weight of 256.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylmethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,2-c]pyridin-7-one is sourced from PubChem (CID 12012000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).