1-benzyl-3,9-dihydro-2H-indeno[2,1-b]pyridin-4-one

C19H17NO — CID 102461664

IUPAC1-benzyl-3,9-dihydro-2H-indeno[2,1-b]pyridin-4-one
SMILESO=C1CCN(Cc2ccccc2)C2=C1c1ccccc1C2
InChIInChI=1S/C19H17NO/c21-18-10-11-20(13-14-6-2-1-3-7-14)17-12-15-8-4-5-9-16(15)19(17)18/h1-9H,10-13H2
InChIKeyNREYAOQIPHKYTQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.43
Rot. Bonds2

About 1-benzyl-3,9-dihydro-2H-indeno[2,1-b]pyridin-4-one

1-benzyl-3,9-dihydro-2H-indeno[2,1-b]pyridin-4-one (PubChem CID 102461664) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-benzyl-3,9-dihydro-2H-indeno[2,1-b]pyridin-4-one.

Molecular Properties

Compound Name1-benzyl-3,9-dihydro-2H-indeno[2,1-b]pyridin-4-one
PubChem CID102461664
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name1-benzyl-3,9-dihydro-2H-indeno[2,1-b]pyridin-4-one
SMILESO=C1CCN(Cc2ccccc2)C2=C1c1ccccc1C2
InChIInChI=1S/C19H17NO/c21-18-10-11-20(13-14-6-2-1-3-7-14)17-12-15-8-4-5-9-16(15)19(17)18/h1-9H,10-13H2
InChIKeyNREYAOQIPHKYTQ-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_ene_B(4)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,9-dihydro-2H-indeno[2,1-b]pyridin-4-one?
The IUPAC name of 1-benzyl-3,9-dihydro-2H-indeno[2,1-b]pyridin-4-one (CID 102461664) is 1-benzyl-3,9-dihydro-2H-indeno[2,1-b]pyridin-4-one.
What is the SMILES notation for 1-benzyl-3,9-dihydro-2H-indeno[2,1-b]pyridin-4-one?
The canonical SMILES for 1-benzyl-3,9-dihydro-2H-indeno[2,1-b]pyridin-4-one is O=C1CCN(Cc2ccccc2)C2=C1c1ccccc1C2.
What is the InChIKey of 1-benzyl-3,9-dihydro-2H-indeno[2,1-b]pyridin-4-one?
The InChIKey is NREYAOQIPHKYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c21-18-10-11-20(13-14-6-2-1-3-7-14)17-12-15-8-4-5-9-16(15)19(17)18/h1-9H,10-13H2.
What are the key properties of 1-benzyl-3,9-dihydro-2H-indeno[2,1-b]pyridin-4-one?
1-benzyl-3,9-dihydro-2H-indeno[2,1-b]pyridin-4-one has a molecular weight of 275.35 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,9-dihydro-2H-indeno[2,1-b]pyridin-4-one is sourced from PubChem (CID 102461664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).