7-(ethylamino)-4,6-dipentylchromen-2-one

C21H31NO2 — CID 87483637

IUPAC7-(ethylamino)-4,6-dipentylchromen-2-one
SMILESCCCCCc1cc2c(CCCCC)cc(=O)oc2cc1NCC
InChIInChI=1S/C21H31NO2/c1-4-7-9-11-16-14-21(23)24-20-15-19(22-6-3)17(13-18(16)20)12-10-8-5-2/h13-15,22H,4-12H2,1-3H3
InChIKeyKYFJNFOQWABJMW-UHFFFAOYSA-N
MW329.48 g/mol
LogP5.69
Rot. Bonds10

About 7-(ethylamino)-4,6-dipentylchromen-2-one

7-(ethylamino)-4,6-dipentylchromen-2-one (PubChem CID 87483637) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is 7-(ethylamino)-4,6-dipentylchromen-2-one.

Molecular Properties

Compound Name7-(ethylamino)-4,6-dipentylchromen-2-one
PubChem CID87483637
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC Name7-(ethylamino)-4,6-dipentylchromen-2-one
SMILESCCCCCc1cc2c(CCCCC)cc(=O)oc2cc1NCC
InChIInChI=1S/C21H31NO2/c1-4-7-9-11-16-14-21(23)24-20-15-19(22-6-3)17(13-18(16)20)12-10-8-5-2/h13-15,22H,4-12H2,1-3H3
InChIKeyKYFJNFOQWABJMW-UHFFFAOYSA-N
XLogP5.69
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.48
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(ethylamino)-4,6-dipentylchromen-2-one?
The IUPAC name of 7-(ethylamino)-4,6-dipentylchromen-2-one (CID 87483637) is 7-(ethylamino)-4,6-dipentylchromen-2-one.
What is the SMILES notation for 7-(ethylamino)-4,6-dipentylchromen-2-one?
The canonical SMILES for 7-(ethylamino)-4,6-dipentylchromen-2-one is CCCCCc1cc2c(CCCCC)cc(=O)oc2cc1NCC.
What is the InChIKey of 7-(ethylamino)-4,6-dipentylchromen-2-one?
The InChIKey is KYFJNFOQWABJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-4-7-9-11-16-14-21(23)24-20-15-19(22-6-3)17(13-18(16)20)12-10-8-5-2/h13-15,22H,4-12H2,1-3H3.
What are the key properties of 7-(ethylamino)-4,6-dipentylchromen-2-one?
7-(ethylamino)-4,6-dipentylchromen-2-one has a molecular weight of 329.48 g/mol, XLogP of 5.69, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethylamino)-4,6-dipentylchromen-2-one is sourced from PubChem (CID 87483637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).