[4-[(2,5-dimethylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone

C20H22N2O2 — CID 42791146

IUPAC[4-[(2,5-dimethylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(C)c(Cn2c(C(=O)N3CCCC3)cc3occc32)c1
InChIInChI=1S/C20H22N2O2/c1-14-5-6-15(2)16(11-14)13-22-17-7-10-24-19(17)12-18(22)20(23)21-8-3-4-9-21/h5-7,10-12H,3-4,8-9,13H2,1-2H3
InChIKeyVMAUOYWVVBDNGS-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.14
Rot. Bonds3

About [4-[(2,5-dimethylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone

[4-[(2,5-dimethylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 42791146) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is [4-[(2,5-dimethylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(2,5-dimethylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID42791146
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name[4-[(2,5-dimethylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(C)c(Cn2c(C(=O)N3CCCC3)cc3occc32)c1
InChIInChI=1S/C20H22N2O2/c1-14-5-6-15(2)16(11-14)13-22-17-7-10-24-19(17)12-18(22)20(23)21-8-3-4-9-21/h5-7,10-12H,3-4,8-9,13H2,1-2H3
InChIKeyVMAUOYWVVBDNGS-UHFFFAOYSA-N
XLogP4.14
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[(2,5-dimethylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42790712
4-[(2,5-dimethylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791148
4-[(2,5-dimethylphenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 7201900
[4-[(3-nitrophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone
CID 42790972
[4-[(2,3-difluorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 7112965
[4-(cyclobutylmethyl)furo[3,2-b]pyrrol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 42792643
[5-amino-1-[(2,5-dimethylphenyl)methyl]indol-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42808876
1-[4-[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone
CID 42790770
ethyl 4-[4-(cyclobutylmethyl)furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
CID 3630000
[4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791194
ethyl 4-[4-[(Z)-but-2-enyl]furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
CID 42790807
N-butan-2-yl-4-[(2-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 75768838

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-dimethylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[(2,5-dimethylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone (CID 42791146) is [4-[(2,5-dimethylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[(2,5-dimethylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[(2,5-dimethylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone is Cc1ccc(C)c(Cn2c(C(=O)N3CCCC3)cc3occc32)c1.
What is the InChIKey of [4-[(2,5-dimethylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VMAUOYWVVBDNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-5-6-15(2)16(11-14)13-22-17-7-10-24-19(17)12-18(22)20(23)21-8-3-4-9-21/h5-7,10-12H,3-4,8-9,13H2,1-2H3.
What are the key properties of [4-[(2,5-dimethylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
[4-[(2,5-dimethylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 322.41 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,5-dimethylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42791146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).