pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone

C15H16N2O — CID 3728001

IUPACpyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccc2)cc1)N1CCCC1
InChIInChI=1S/C15H16N2O/c18-15(17-11-3-4-12-17)13-5-7-14(8-6-13)16-9-1-2-10-16/h1-2,5-10H,3-4,11-12H2
InChIKeyQCYRQCGSDBQCAZ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.71
Rot. Bonds2

About pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone

pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 3728001) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
PubChem CID3728001
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Namepyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccc2)cc1)N1CCCC1
InChIInChI=1S/C15H16N2O/c18-15(17-11-3-4-12-17)13-5-7-14(8-6-13)16-9-1-2-10-16/h1-2,5-10H,3-4,11-12H2
InChIKeyQCYRQCGSDBQCAZ-UHFFFAOYSA-N
XLogP2.71
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 1472874
cyclobutyl-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 110803719
1-(azepan-1-yl)-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 17401505
1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
CID 45341241
(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 108533783
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 122334710
2-phenyl-1-[4-(4-pyrrol-1-ylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108545585
(4-ethylsulfonyl-1,4-diazepan-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 110810041
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 62917916
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 66262361
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 131704030

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone (CID 3728001) is pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone is O=C(c1ccc(-n2cccc2)cc1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is QCYRQCGSDBQCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-15(17-11-3-4-12-17)13-5-7-14(8-6-13)16-9-1-2-10-16/h1-2,5-10H,3-4,11-12H2.
What are the key properties of pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone?
pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone has a molecular weight of 240.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 3728001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).