(3R)-1-(furan-2-ylmethyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide

C21H22N2O5 — CID 8893980

IUPAC(3R)-1-(furan-2-ylmethyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C21H22N2O5/c24-19-10-14(12-23(19)13-16-4-3-9-26-16)20(25)22-15-5-6-17-18(11-15)28-21(27-17)7-1-2-8-21/h3-6,9,11,14H,1-2,7-8,10,12-13H2,(H,22,25)/t14-/m1/s1
InChIKeyDRDOHDDTOXUZKL-CQSZACIVSA-N
MW382.42 g/mol
LogP3.31
Rot. Bonds4

About (3R)-1-(furan-2-ylmethyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide

(3R)-1-(furan-2-ylmethyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide (PubChem CID 8893980) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is (3R)-1-(furan-2-ylmethyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(furan-2-ylmethyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide
PubChem CID8893980
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name(3R)-1-(furan-2-ylmethyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C21H22N2O5/c24-19-10-14(12-23(19)13-16-4-3-9-26-16)20(25)22-15-5-6-17-18(11-15)28-21(27-17)7-1-2-8-21/h3-6,9,11,14H,1-2,7-8,10,12-13H2,(H,22,25)/t14-/m1/s1
InChIKeyDRDOHDDTOXUZKL-CQSZACIVSA-N
XLogP3.31
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55341921
(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39314628
N-(3-acetamidophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51149894
(3R)-N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 6931900
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
(3S)-N-(4-bromo-3-methylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 9095963
N-(3-acetylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 18077896
N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 17390517
(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 35753646
1-(furan-2-ylmethyl)-5-oxo-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide
CID 49360567
1-(2-chlorophenyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide
CID 43000658
1-(furan-2-ylmethyl)-5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55887280

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(furan-2-ylmethyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(furan-2-ylmethyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide (CID 8893980) is (3R)-1-(furan-2-ylmethyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(furan-2-ylmethyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(furan-2-ylmethyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide is O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@H]1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of (3R)-1-(furan-2-ylmethyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide?
The InChIKey is DRDOHDDTOXUZKL-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22N2O5/c24-19-10-14(12-23(19)13-16-4-3-9-26-16)20(25)22-15-5-6-17-18(11-15)28-21(27-17)7-1-2-8-21/h3-6,9,11,14H,1-2,7-8,10,12-13H2,(H,22,25)/t14-/m1/s1.
What are the key properties of (3R)-1-(furan-2-ylmethyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide?
(3R)-1-(furan-2-ylmethyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(furan-2-ylmethyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 8893980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).