6,8-dichloro-3-(piperidine-1-carbonyl)chromen-2-one

C15H13Cl2NO3 — CID 849949

IUPAC6,8-dichloro-3-(piperidine-1-carbonyl)chromen-2-one
SMILESO=C(c1cc2cc(Cl)cc(Cl)c2oc1=O)N1CCCCC1
InChIInChI=1S/C15H13Cl2NO3/c16-10-6-9-7-11(14(19)18-4-2-1-3-5-18)15(20)21-13(9)12(17)8-10/h6-8H,1-5H2
InChIKeyGAPPQXQWUBEBPH-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.73
Rot. Bonds1

About 6,8-dichloro-3-(piperidine-1-carbonyl)chromen-2-one

6,8-dichloro-3-(piperidine-1-carbonyl)chromen-2-one (PubChem CID 849949) has the molecular formula C15H13Cl2NO3 and a molecular weight of 326.18 g/mol. Its IUPAC name is 6,8-dichloro-3-(piperidine-1-carbonyl)chromen-2-one.

Molecular Properties

Compound Name6,8-dichloro-3-(piperidine-1-carbonyl)chromen-2-one
PubChem CID849949
Molecular FormulaC15H13Cl2NO3
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name6,8-dichloro-3-(piperidine-1-carbonyl)chromen-2-one
SMILESO=C(c1cc2cc(Cl)cc(Cl)c2oc1=O)N1CCCCC1
InChIInChI=1S/C15H13Cl2NO3/c16-10-6-9-7-11(14(19)18-4-2-1-3-5-18)15(20)21-13(9)12(17)8-10/h6-8H,1-5H2
InChIKeyGAPPQXQWUBEBPH-UHFFFAOYSA-N
XLogP3.73
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-(piperidine-1-carbonyl)chromen-2-one?
The IUPAC name of 6,8-dichloro-3-(piperidine-1-carbonyl)chromen-2-one (CID 849949) is 6,8-dichloro-3-(piperidine-1-carbonyl)chromen-2-one.
What is the SMILES notation for 6,8-dichloro-3-(piperidine-1-carbonyl)chromen-2-one?
The canonical SMILES for 6,8-dichloro-3-(piperidine-1-carbonyl)chromen-2-one is O=C(c1cc2cc(Cl)cc(Cl)c2oc1=O)N1CCCCC1.
What is the InChIKey of 6,8-dichloro-3-(piperidine-1-carbonyl)chromen-2-one?
The InChIKey is GAPPQXQWUBEBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3/c16-10-6-9-7-11(14(19)18-4-2-1-3-5-18)15(20)21-13(9)12(17)8-10/h6-8H,1-5H2.
What are the key properties of 6,8-dichloro-3-(piperidine-1-carbonyl)chromen-2-one?
6,8-dichloro-3-(piperidine-1-carbonyl)chromen-2-one has a molecular weight of 326.18 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-(piperidine-1-carbonyl)chromen-2-one is sourced from PubChem (CID 849949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).