[(3R)-3-aminopyrrolidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone

C15H17N3O — CID 119411202

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
SMILESN[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)C1
InChIInChI=1S/C15H17N3O/c16-12-8-9-18(10-12)15(19)14-7-6-13(17-14)11-4-2-1-3-5-11/h1-7,12,17H,8-10,16H2/t12-/m1/s1
InChIKeyTYQFYCIZTACJJH-GFCCVEGCSA-N
MW255.32 g/mol
LogP1.85
Rot. Bonds2

About [(3R)-3-aminopyrrolidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone

[(3R)-3-aminopyrrolidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone (PubChem CID 119411202) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
PubChem CID119411202
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
SMILESN[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)C1
InChIInChI=1S/C15H17N3O/c16-12-8-9-18(10-12)15(19)14-7-6-13(17-14)11-4-2-1-3-5-11/h1-7,12,17H,8-10,16H2/t12-/m1/s1
InChIKeyTYQFYCIZTACJJH-GFCCVEGCSA-N
XLogP1.85
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 133138416
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
[4-(3-aminopropoxy)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 119663024
N-(2-aminoethyl)-1-(5-phenyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119480719
(5-phenyl-1H-pyrrol-2-yl)-[3-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 136560385
[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 56758126
N-[(4S,5S)-5-hydroxy-1-(5-phenyl-1H-pyrrole-2-carbonyl)azepan-4-yl]-2-methylpropanamide
CID 110164321
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
[2-(aminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone;hydrochloride
CID 119467848
[(3R)-3-aminopyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 119409300
(3-aminopyrrolidin-1-yl)-(3,4-dihydroxyphenyl)methanone
CID 107727512
[(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 81469857

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone (CID 119411202) is [(3R)-3-aminopyrrolidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone is N[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone?
The InChIKey is TYQFYCIZTACJJH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O/c16-12-8-9-18(10-12)15(19)14-7-6-13(17-14)11-4-2-1-3-5-11/h1-7,12,17H,8-10,16H2/t12-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone?
[(3R)-3-aminopyrrolidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone has a molecular weight of 255.32 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 119411202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).