7-propoxy-3-pyridin-2-ylchromen-2-one

C17H15NO3 — CID 2351184

IUPAC7-propoxy-3-pyridin-2-ylchromen-2-one
SMILESCCCOc1ccc2cc(-c3ccccn3)c(=O)oc2c1
InChIInChI=1S/C17H15NO3/c1-2-9-20-13-7-6-12-10-14(15-5-3-4-8-18-15)17(19)21-16(12)11-13/h3-8,10-11H,2,9H2,1H3
InChIKeyPAZIHTHAUMFBEB-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.64
Rot. Bonds4

About 7-propoxy-3-pyridin-2-ylchromen-2-one

7-propoxy-3-pyridin-2-ylchromen-2-one (PubChem CID 2351184) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 7-propoxy-3-pyridin-2-ylchromen-2-one.

Molecular Properties

Compound Name7-propoxy-3-pyridin-2-ylchromen-2-one
PubChem CID2351184
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name7-propoxy-3-pyridin-2-ylchromen-2-one
SMILESCCCOc1ccc2cc(-c3ccccn3)c(=O)oc2c1
InChIInChI=1S/C17H15NO3/c1-2-9-20-13-7-6-12-10-14(15-5-3-4-8-18-15)17(19)21-16(12)11-13/h3-8,10-11H,2,9H2,1H3
InChIKeyPAZIHTHAUMFBEB-UHFFFAOYSA-N
XLogP3.64
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-propoxy-3-pyridin-2-ylchromen-2-one?
The IUPAC name of 7-propoxy-3-pyridin-2-ylchromen-2-one (CID 2351184) is 7-propoxy-3-pyridin-2-ylchromen-2-one.
What is the SMILES notation for 7-propoxy-3-pyridin-2-ylchromen-2-one?
The canonical SMILES for 7-propoxy-3-pyridin-2-ylchromen-2-one is CCCOc1ccc2cc(-c3ccccn3)c(=O)oc2c1.
What is the InChIKey of 7-propoxy-3-pyridin-2-ylchromen-2-one?
The InChIKey is PAZIHTHAUMFBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-2-9-20-13-7-6-12-10-14(15-5-3-4-8-18-15)17(19)21-16(12)11-13/h3-8,10-11H,2,9H2,1H3.
What are the key properties of 7-propoxy-3-pyridin-2-ylchromen-2-one?
7-propoxy-3-pyridin-2-ylchromen-2-one has a molecular weight of 281.31 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propoxy-3-pyridin-2-ylchromen-2-one is sourced from PubChem (CID 2351184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).