1-[6-(dipropylamino)-2H-chromen-3-yl]ethanone

C17H23NO2 — CID 139997057

IUPAC1-[6-(dipropylamino)-2H-chromen-3-yl]ethanone
SMILESCCCN(CCC)c1ccc2c(c1)C=C(C(C)=O)CO2
InChIInChI=1S/C17H23NO2/c1-4-8-18(9-5-2)16-6-7-17-14(11-16)10-15(12-20-17)13(3)19/h6-7,10-11H,4-5,8-9,12H2,1-3H3
InChIKeyRAFIVSVPXRNVSC-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.68
Rot. Bonds6

About 1-[6-(dipropylamino)-2H-chromen-3-yl]ethanone

1-[6-(dipropylamino)-2H-chromen-3-yl]ethanone (PubChem CID 139997057) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[6-(dipropylamino)-2H-chromen-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-(dipropylamino)-2H-chromen-3-yl]ethanone
PubChem CID139997057
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-[6-(dipropylamino)-2H-chromen-3-yl]ethanone
SMILESCCCN(CCC)c1ccc2c(c1)C=C(C(C)=O)CO2
InChIInChI=1S/C17H23NO2/c1-4-8-18(9-5-2)16-6-7-17-14(11-16)10-15(12-20-17)13(3)19/h6-7,10-11H,4-5,8-9,12H2,1-3H3
InChIKeyRAFIVSVPXRNVSC-UHFFFAOYSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(dipropylamino)-2H-chromen-3-yl]ethanone?
The IUPAC name of 1-[6-(dipropylamino)-2H-chromen-3-yl]ethanone (CID 139997057) is 1-[6-(dipropylamino)-2H-chromen-3-yl]ethanone.
What is the SMILES notation for 1-[6-(dipropylamino)-2H-chromen-3-yl]ethanone?
The canonical SMILES for 1-[6-(dipropylamino)-2H-chromen-3-yl]ethanone is CCCN(CCC)c1ccc2c(c1)C=C(C(C)=O)CO2.
What is the InChIKey of 1-[6-(dipropylamino)-2H-chromen-3-yl]ethanone?
The InChIKey is RAFIVSVPXRNVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-8-18(9-5-2)16-6-7-17-14(11-16)10-15(12-20-17)13(3)19/h6-7,10-11H,4-5,8-9,12H2,1-3H3.
What are the key properties of 1-[6-(dipropylamino)-2H-chromen-3-yl]ethanone?
1-[6-(dipropylamino)-2H-chromen-3-yl]ethanone has a molecular weight of 273.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dipropylamino)-2H-chromen-3-yl]ethanone is sourced from PubChem (CID 139997057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).