1-ethyl-3-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C15H16N2O — CID 162687138

IUPAC1-ethyl-3-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCn1cc(-c2ccccc2)c2c1CCNC2=O
InChIInChI=1S/C15H16N2O/c1-2-17-10-12(11-6-4-3-5-7-11)14-13(17)8-9-16-15(14)18/h3-7,10H,2,8-9H2,1H3,(H,16,18)
InChIKeyWKOIZYHOVQTTFL-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.46
Rot. Bonds2

About 1-ethyl-3-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

1-ethyl-3-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 162687138) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-ethyl-3-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name1-ethyl-3-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID162687138
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-ethyl-3-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCn1cc(-c2ccccc2)c2c1CCNC2=O
InChIInChI=1S/C15H16N2O/c1-2-17-10-12(11-6-4-3-5-7-11)14-13(17)8-9-16-15(14)18/h3-7,10H,2,8-9H2,1H3,(H,16,18)
InChIKeyWKOIZYHOVQTTFL-UHFFFAOYSA-N
XLogP2.46
TPSA34.03 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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 1-ethyl-3-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 162687138) is 1-ethyl-3-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 1-ethyl-3-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 1-ethyl-3-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is CCn1cc(-c2ccccc2)c2c1CCNC2=O.
What is the InChIKey of 1-ethyl-3-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is WKOIZYHOVQTTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-2-17-10-12(11-6-4-3-5-7-11)14-13(17)8-9-16-15(14)18/h3-7,10H,2,8-9H2,1H3,(H,16,18).
What are the key properties of 1-ethyl-3-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
1-ethyl-3-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 240.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 162687138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).