2-[5-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-2-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-dioxolan-4-yl]-1H-pyrrole

C23H25N3O3S — CID 141214113

IUPAC2-[5-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-2-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-dioxolan-4-yl]-1H-pyrrole
SMILESC1=CN(C2(c3ccco3)OC(c3cccs3)(N3CCCC3)OC2c2ccc[nH]2)CC1
InChIInChI=1S/C23H25N3O3S/c1-2-13-25(12-1)22(19-9-6-16-27-19)21(18-8-5-11-24-18)28-23(29-22,20-10-7-17-30-20)26-14-3-4-15-26/h1,5-12,16-17,21,24H,2-4,13-15H2
InChIKeyVEWCVCUJSWPRSJ-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.74
Rot. Bonds5

About 2-[5-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-2-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-dioxolan-4-yl]-1H-pyrrole

2-[5-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-2-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-dioxolan-4-yl]-1H-pyrrole (PubChem CID 141214113) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-[5-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-2-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-dioxolan-4-yl]-1H-pyrrole.

Molecular Properties

Compound Name2-[5-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-2-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-dioxolan-4-yl]-1H-pyrrole
PubChem CID141214113
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name2-[5-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-2-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-dioxolan-4-yl]-1H-pyrrole
SMILESC1=CN(C2(c3ccco3)OC(c3cccs3)(N3CCCC3)OC2c2ccc[nH]2)CC1
InChIInChI=1S/C23H25N3O3S/c1-2-13-25(12-1)22(19-9-6-16-27-19)21(18-8-5-11-24-18)28-23(29-22,20-10-7-17-30-20)26-14-3-4-15-26/h1,5-12,16-17,21,24H,2-4,13-15H2
InChIKeyVEWCVCUJSWPRSJ-UHFFFAOYSA-N
XLogP4.74
TPSA53.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-2-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-dioxolan-4-yl]-1H-pyrrole with MolForge

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Related Compounds

5-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1,3-oxazole
CID 140986058
2-(furan-2-yl)-4-pyridin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole
CID 140987563
5-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole
CID 141189938

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-2-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-dioxolan-4-yl]-1H-pyrrole?
The IUPAC name of 2-[5-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-2-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-dioxolan-4-yl]-1H-pyrrole (CID 141214113) is 2-[5-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-2-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-dioxolan-4-yl]-1H-pyrrole.
What is the SMILES notation for 2-[5-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-2-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-dioxolan-4-yl]-1H-pyrrole?
The canonical SMILES for 2-[5-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-2-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-dioxolan-4-yl]-1H-pyrrole is C1=CN(C2(c3ccco3)OC(c3cccs3)(N3CCCC3)OC2c2ccc[nH]2)CC1.
What is the InChIKey of 2-[5-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-2-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-dioxolan-4-yl]-1H-pyrrole?
The InChIKey is VEWCVCUJSWPRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-2-13-25(12-1)22(19-9-6-16-27-19)21(18-8-5-11-24-18)28-23(29-22,20-10-7-17-30-20)26-14-3-4-15-26/h1,5-12,16-17,21,24H,2-4,13-15H2.
What are the key properties of 2-[5-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-2-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-dioxolan-4-yl]-1H-pyrrole?
2-[5-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-2-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-dioxolan-4-yl]-1H-pyrrole has a molecular weight of 423.54 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-2-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-dioxolan-4-yl]-1H-pyrrole is sourced from PubChem (CID 141214113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).