N-benzyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide

C20H20N2O3 — CID 90586068

IUPACN-benzyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
SMILESO=C1CC2(CCN(C(=O)NCc3ccccc3)C2)Oc2ccccc21
InChIInChI=1S/C20H20N2O3/c23-17-12-20(25-18-9-5-4-8-16(17)18)10-11-22(14-20)19(24)21-13-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,24)
InChIKeyKDTNPCLZVNKKLA-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.01
Rot. Bonds2

About N-benzyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide

N-benzyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide (PubChem CID 90586068) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-benzyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
PubChem CID90586068
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-benzyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
SMILESO=C1CC2(CCN(C(=O)NCc3ccccc3)C2)Oc2ccccc21
InChIInChI=1S/C20H20N2O3/c23-17-12-20(25-18-9-5-4-8-16(17)18)10-11-22(14-20)19(24)21-13-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,24)
InChIKeyKDTNPCLZVNKKLA-UHFFFAOYSA-N
XLogP3.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetamide
CID 164696517
N-(2-chlorophenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586080
1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 130157727
1'-(3-methylbutanoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585824
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'-(2-cyclopentylacetyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585833
1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585858
N-[(3R,4R)-4-methoxyoxolan-3-yl]-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 164635737
2-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoic acid
CID 7260656
1'-[3-[4-(trifluoromethyl)phenyl]propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586180
N-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 46353341

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of N-benzyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide (CID 90586068) is N-benzyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for N-benzyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for N-benzyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide is O=C1CC2(CCN(C(=O)NCc3ccccc3)C2)Oc2ccccc21.
What is the InChIKey of N-benzyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is KDTNPCLZVNKKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-17-12-20(25-18-9-5-4-8-16(17)18)10-11-22(14-20)19(24)21-13-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,24).
What are the key properties of N-benzyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide?
N-benzyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 90586068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).