1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one

C19H16ClNO3 — CID 90585858

IUPAC1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3ccc(Cl)cc3)C2)Oc2ccccc21
InChIInChI=1S/C19H16ClNO3/c20-14-7-5-13(6-8-14)18(23)21-10-9-19(12-21)11-16(22)15-3-1-2-4-17(15)24-19/h1-8H,9-12H2
InChIKeyYXSMVEWGBPDKBU-UHFFFAOYSA-N
MW341.79 g/mol
LogP3.59
Rot. Bonds1

About 1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one

1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 90585858) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID90585858
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3ccc(Cl)cc3)C2)Oc2ccccc21
InChIInChI=1S/C19H16ClNO3/c20-14-7-5-13(6-8-14)18(23)21-10-9-19(12-21)11-16(22)15-3-1-2-4-17(15)24-19/h1-8H,9-12H2
InChIKeyYXSMVEWGBPDKBU-UHFFFAOYSA-N
XLogP3.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[4-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585914
1'-(4-thiophen-3-ylbenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586111
1'-(2,1,3-benzothiadiazole-5-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 71805919
1'-(4-propan-2-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734251
1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260534
1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 44769674
1'-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585966
N-(2-chlorophenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586080
1'-[2-(2,4-dichlorophenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585951
1'-(3-methylbutanoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585824
(2R)-1'-(5-phenyl-1,2-oxazole-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 97415034
1'-(2-cyclopentylacetyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585833

Frequently Asked Questions

What is the IUPAC name of 1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 90585858) is 1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one is O=C1CC2(CCN(C(=O)c3ccc(Cl)cc3)C2)Oc2ccccc21.
What is the InChIKey of 1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is YXSMVEWGBPDKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c20-14-7-5-13(6-8-14)18(23)21-10-9-19(12-21)11-16(22)15-3-1-2-4-17(15)24-19/h1-8H,9-12H2.
What are the key properties of 1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 341.79 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 90585858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).