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

C18H15Cl2NO4 — CID 108758643

IUPAC6,8-dichloro-1'-(furan-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3ccco3)CC2)Oc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C18H15Cl2NO4/c19-11-8-12-14(22)10-18(25-16(12)13(20)9-11)3-5-21(6-4-18)17(23)15-2-1-7-24-15/h1-2,7-9H,3-6,10H2
InChIKeyIJEQGLSVZOXFQT-UHFFFAOYSA-N
MW380.23 g/mol
LogP4.23
Rot. Bonds1

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

6,8-dichloro-1'-(furan-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108758643) has the molecular formula C18H15Cl2NO4 and a molecular weight of 380.23 g/mol. Its IUPAC name is 6,8-dichloro-1'-(furan-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6,8-dichloro-1'-(furan-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108758643
Molecular FormulaC18H15Cl2NO4
Molecular Weight380.23 g/mol
Exact Mass379.04
IUPAC Name6,8-dichloro-1'-(furan-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3ccco3)CC2)Oc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C18H15Cl2NO4/c19-11-8-12-14(22)10-18(25-16(12)13(20)9-11)3-5-21(6-4-18)17(23)15-2-1-7-24-15/h1-2,7-9H,3-6,10H2
InChIKeyIJEQGLSVZOXFQT-UHFFFAOYSA-N
XLogP4.23
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

prop-2-enyl 6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735528
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
6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758658
1'-(furan-2-carbonyl)-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762631
6,8-dichloro-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770267
2-[1-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108758656
6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735520
6,8-dichlorospiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 165352507
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
1'-(5-bromofuran-2-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750296

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-1'-(furan-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6,8-dichloro-1'-(furan-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108758643) is 6,8-dichloro-1'-(furan-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6,8-dichloro-1'-(furan-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6,8-dichloro-1'-(furan-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)c3ccco3)CC2)Oc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 6,8-dichloro-1'-(furan-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is IJEQGLSVZOXFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO4/c19-11-8-12-14(22)10-18(25-16(12)13(20)9-11)3-5-21(6-4-18)17(23)15-2-1-7-24-15/h1-2,7-9H,3-6,10H2.
What are the key properties of 6,8-dichloro-1'-(furan-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
6,8-dichloro-1'-(furan-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 380.23 g/mol, XLogP of 4.23, 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'-(furan-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108758643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).