(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone

C15H16N2O2 — CID 62917916

IUPAC(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccc2)cc1)N1CCC(O)C1
InChIInChI=1S/C15H16N2O2/c18-14-7-10-17(11-14)15(19)12-3-5-13(6-4-12)16-8-1-2-9-16/h1-6,8-9,14,18H,7,10-11H2
InChIKeyVVIAOSOLYBQBPV-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.68
Rot. Bonds2

About (3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone

(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 62917916) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
PubChem CID62917916
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccc2)cc1)N1CCC(O)C1
InChIInChI=1S/C15H16N2O2/c18-14-7-10-17(11-14)15(19)12-3-5-13(6-4-12)16-8-1-2-9-16/h1-6,8-9,14,18H,7,10-11H2
InChIKeyVVIAOSOLYBQBPV-UHFFFAOYSA-N
XLogP1.68
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-hydroxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 66262361
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 110441029
1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
CID 45341241
(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916792
pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001
(3-fluoro-4-pyrrol-1-ylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561545
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 1472874
(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58949513
[4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261496
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 121190542
[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261919

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone (CID 62917916) is (3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone is O=C(c1ccc(-n2cccc2)cc1)N1CCC(O)C1.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is VVIAOSOLYBQBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-14-7-10-17(11-14)15(19)12-3-5-13(6-4-12)16-8-1-2-9-16/h1-6,8-9,14,18H,7,10-11H2.
What are the key properties of (3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone?
(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone has a molecular weight of 256.31 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 62917916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).