5-methoxy-2-(pyridin-4-ylmethyl)-2,3-dihydroinden-1-one

C16H15NO2 — CID 10060824

IUPAC5-methoxy-2-(pyridin-4-ylmethyl)-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1)CC(Cc1ccncc1)C2=O
InChIInChI=1S/C16H15NO2/c1-19-14-2-3-15-12(10-14)9-13(16(15)18)8-11-4-6-17-7-5-11/h2-7,10,13H,8-9H2,1H3
InChIKeyHKUPXKYZDOQZHE-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.69
Rot. Bonds3

About 5-methoxy-2-(pyridin-4-ylmethyl)-2,3-dihydroinden-1-one

5-methoxy-2-(pyridin-4-ylmethyl)-2,3-dihydroinden-1-one (PubChem CID 10060824) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-methoxy-2-(pyridin-4-ylmethyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-methoxy-2-(pyridin-4-ylmethyl)-2,3-dihydroinden-1-one
PubChem CID10060824
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name5-methoxy-2-(pyridin-4-ylmethyl)-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1)CC(Cc1ccncc1)C2=O
InChIInChI=1S/C16H15NO2/c1-19-14-2-3-15-12(10-14)9-13(16(15)18)8-11-4-6-17-7-5-11/h2-7,10,13H,8-9H2,1H3
InChIKeyHKUPXKYZDOQZHE-UHFFFAOYSA-N
XLogP2.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(pyridin-4-ylmethyl)-2,3-dihydroinden-1-one?
The IUPAC name of 5-methoxy-2-(pyridin-4-ylmethyl)-2,3-dihydroinden-1-one (CID 10060824) is 5-methoxy-2-(pyridin-4-ylmethyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-methoxy-2-(pyridin-4-ylmethyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-methoxy-2-(pyridin-4-ylmethyl)-2,3-dihydroinden-1-one is COc1ccc2c(c1)CC(Cc1ccncc1)C2=O.
What is the InChIKey of 5-methoxy-2-(pyridin-4-ylmethyl)-2,3-dihydroinden-1-one?
The InChIKey is HKUPXKYZDOQZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-14-2-3-15-12(10-14)9-13(16(15)18)8-11-4-6-17-7-5-11/h2-7,10,13H,8-9H2,1H3.
What are the key properties of 5-methoxy-2-(pyridin-4-ylmethyl)-2,3-dihydroinden-1-one?
5-methoxy-2-(pyridin-4-ylmethyl)-2,3-dihydroinden-1-one has a molecular weight of 253.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(pyridin-4-ylmethyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 10060824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).