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

C20H21NO3S — CID 90586178

IUPAC1'-[3-(3-methylthiophen-2-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCc1ccsc1CCC(=O)N1CCC2(CC(=O)c3ccccc3O2)C1
InChIInChI=1S/C20H21NO3S/c1-14-8-11-25-18(14)6-7-19(23)21-10-9-20(13-21)12-16(22)15-4-2-3-5-17(15)24-20/h2-5,8,11H,6-7,9-10,12-13H2,1H3
InChIKeyWMDNOZXTADSSDH-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.63
Rot. Bonds3

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

1'-[3-(3-methylthiophen-2-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 90586178) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1'-[3-(3-methylthiophen-2-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name1'-[3-(3-methylthiophen-2-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID90586178
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC Name1'-[3-(3-methylthiophen-2-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCc1ccsc1CCC(=O)N1CCC2(CC(=O)c3ccccc3O2)C1
InChIInChI=1S/C20H21NO3S/c1-14-8-11-25-18(14)6-7-19(23)21-10-9-20(13-21)12-16(22)15-4-2-3-5-17(15)24-20/h2-5,8,11H,6-7,9-10,12-13H2,1H3
InChIKeyWMDNOZXTADSSDH-UHFFFAOYSA-N
XLogP3.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[3-(3,4-dimethylphenyl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586185
(2R)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 99953645
1'-[3-[4-(trifluoromethyl)phenyl]propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586180
1'-(3-methylbutanoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585824
1'-[3-(2,4,6-trimethoxyphenyl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586182
1'-(2-cyclopentylacetyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585833
1'-[2-(4-methoxyphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585903
1'-[2-(2-oxopyrimidin-1-yl)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 74244151
2-fluoro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide
CID 90586128
N-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586070
N-(3,4-dimethylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586073
1'-[3-(4-oxoquinazolin-3-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586258

Frequently Asked Questions

What is the IUPAC name of 1'-[3-(3-methylthiophen-2-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 1'-[3-(3-methylthiophen-2-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 90586178) is 1'-[3-(3-methylthiophen-2-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 1'-[3-(3-methylthiophen-2-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 1'-[3-(3-methylthiophen-2-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one is Cc1ccsc1CCC(=O)N1CCC2(CC(=O)c3ccccc3O2)C1.
What is the InChIKey of 1'-[3-(3-methylthiophen-2-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is WMDNOZXTADSSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-14-8-11-25-18(14)6-7-19(23)21-10-9-20(13-21)12-16(22)15-4-2-3-5-17(15)24-20/h2-5,8,11H,6-7,9-10,12-13H2,1H3.
What are the key properties of 1'-[3-(3-methylthiophen-2-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
1'-[3-(3-methylthiophen-2-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 355.46 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-(3-methylthiophen-2-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 90586178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).