4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile

C15H15N3O3 — CID 111562107

IUPAC4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile
SMILESCc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C15H15N3O3/c1-10-13(14(20)18-7-4-11(19)9-18)12(8-16)15(21-10)17-5-2-3-6-17/h2-3,5-6,11,19H,4,7,9H2,1H3/t11-/m1/s1
InChIKeyIEESBGUSIRHJSE-LLVKDONJSA-N
MW285.30 g/mol
LogP1.46
Rot. Bonds2

About 4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile

4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile (PubChem CID 111562107) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile.

Molecular Properties

Compound Name4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile
PubChem CID111562107
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile
SMILESCc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C15H15N3O3/c1-10-13(14(20)18-7-4-11(19)9-18)12(8-16)15(21-10)17-5-2-3-6-17/h2-3,5-6,11,19H,4,7,9H2,1H3/t11-/m1/s1
InChIKeyIEESBGUSIRHJSE-LLVKDONJSA-N
XLogP1.46
TPSA82.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_F(5)', 'substructure': 'N/A'}

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Related Compounds

4-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile
CID 97001578
5-methyl-4-[(4S)-4-methylazepane-1-carbonyl]-2-pyrrol-1-ylfuran-3-carbonitrile
CID 95138891
4-(4-benzoylpiperazine-1-carbonyl)-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile
CID 31188867
tert-butyl 4-(4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carbonyl)piperazine-1-carboxylate
CID 86916941
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 8782461
4-cyano-2-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-5-pyrrol-1-ylfuran-3-carboxamide
CID 75526314
4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile
CID 39965502
(2-oxo-2-piperidin-1-ylethyl) 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 8782563
4-cyano-N-(2,3-dimethylcyclohexyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 46539819
4-cyano-2-methyl-N-[4-(methylcarbamoylamino)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide
CID 86918012
4-cyano-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 47016899
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 8782526

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile?
The IUPAC name of 4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile (CID 111562107) is 4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile.
What is the SMILES notation for 4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile?
The canonical SMILES for 4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile is Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@@H](O)C1.
What is the InChIKey of 4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile?
The InChIKey is IEESBGUSIRHJSE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-13(14(20)18-7-4-11(19)9-18)12(8-16)15(21-10)17-5-2-3-6-17/h2-3,5-6,11,19H,4,7,9H2,1H3/t11-/m1/s1.
What are the key properties of 4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile?
4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile has a molecular weight of 285.30 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile is sourced from PubChem (CID 111562107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).