6,8-dichloro-1'-(5-methylfuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C19H17Cl2NO4 — CID 108735582

IUPAC6,8-dichloro-1'-(5-methylfuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1ccc(C(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)cc(Cl)c2O3)o1
InChIInChI=1S/C19H17Cl2NO4/c1-11-2-3-16(25-11)18(24)22-6-4-19(5-7-22)10-15(23)13-8-12(20)9-14(21)17(13)26-19/h2-3,8-9H,4-7,10H2,1H3
InChIKeyJLJDNMIBYZRTKC-UHFFFAOYSA-N
MW394.25 g/mol
LogP4.54
Rot. Bonds1

About 6,8-dichloro-1'-(5-methylfuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

6,8-dichloro-1'-(5-methylfuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108735582) has the molecular formula C19H17Cl2NO4 and a molecular weight of 394.25 g/mol. Its IUPAC name is 6,8-dichloro-1'-(5-methylfuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6,8-dichloro-1'-(5-methylfuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108735582
Molecular FormulaC19H17Cl2NO4
Molecular Weight394.25 g/mol
Exact Mass393.05
IUPAC Name6,8-dichloro-1'-(5-methylfuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1ccc(C(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)cc(Cl)c2O3)o1
InChIInChI=1S/C19H17Cl2NO4/c1-11-2-3-16(25-11)18(24)22-6-4-19(5-7-22)10-15(23)13-8-12(20)9-14(21)17(13)26-19/h2-3,8-9H,4-7,10H2,1H3
InChIKeyJLJDNMIBYZRTKC-UHFFFAOYSA-N
XLogP4.54
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,8-dichloro-1'-(furan-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758643
1'-(5-bromofuran-2-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750296
6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735520
6,8-dichloro-1'-(4-methyl-3,5-dinitrobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735508
6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758658
6,8-dichloro-1'-(2-oxochromene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735479
[3-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108758625
1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726147
6,8-dichloro-1'-(3-chloro-2,2-dimethylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758629
6,8-dichloro-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770267
6,8-dichloro-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735553
prop-2-enyl 6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735528

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-1'-(5-methylfuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6,8-dichloro-1'-(5-methylfuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108735582) is 6,8-dichloro-1'-(5-methylfuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6,8-dichloro-1'-(5-methylfuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6,8-dichloro-1'-(5-methylfuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is Cc1ccc(C(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)cc(Cl)c2O3)o1.
What is the InChIKey of 6,8-dichloro-1'-(5-methylfuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is JLJDNMIBYZRTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO4/c1-11-2-3-16(25-11)18(24)22-6-4-19(5-7-22)10-15(23)13-8-12(20)9-14(21)17(13)26-19/h2-3,8-9H,4-7,10H2,1H3.
What are the key properties of 6,8-dichloro-1'-(5-methylfuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
6,8-dichloro-1'-(5-methylfuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 394.25 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-1'-(5-methylfuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108735582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).