(4-amino-1-methylpyrrol-2-yl)-(2-benzylpyrrolidin-1-yl)methanone

C17H21N3O — CID 61106055

IUPAC(4-amino-1-methylpyrrol-2-yl)-(2-benzylpyrrolidin-1-yl)methanone
SMILESCn1cc(N)cc1C(=O)N1CCCC1Cc1ccccc1
InChIInChI=1S/C17H21N3O/c1-19-12-14(18)11-16(19)17(21)20-9-5-8-15(20)10-13-6-3-2-4-7-13/h2-4,6-7,11-12,15H,5,8-10,18H2,1H3
InChIKeyZWOSQOTXILBXBO-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.45
Rot. Bonds3

About (4-amino-1-methylpyrrol-2-yl)-(2-benzylpyrrolidin-1-yl)methanone

(4-amino-1-methylpyrrol-2-yl)-(2-benzylpyrrolidin-1-yl)methanone (PubChem CID 61106055) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (4-amino-1-methylpyrrol-2-yl)-(2-benzylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrrol-2-yl)-(2-benzylpyrrolidin-1-yl)methanone
PubChem CID61106055
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(4-amino-1-methylpyrrol-2-yl)-(2-benzylpyrrolidin-1-yl)methanone
SMILESCn1cc(N)cc1C(=O)N1CCCC1Cc1ccccc1
InChIInChI=1S/C17H21N3O/c1-19-12-14(18)11-16(19)17(21)20-9-5-8-15(20)10-13-6-3-2-4-7-13/h2-4,6-7,11-12,15H,5,8-10,18H2,1H3
InChIKeyZWOSQOTXILBXBO-UHFFFAOYSA-N
XLogP2.45
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide
CID 43643152
(4-amino-1-methylpyrrol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62122802
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
N,1-dimethyl-5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyrrole-3-sulfonamide
CID 55925471
[(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 32822941
(2-amino-1,3-thiazol-4-yl)-(2-benzylpyrrolidin-1-yl)methanone
CID 62786689
(2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42940211
(2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone
CID 75402551
methyl 5-(2-benzylpyrrolidine-1-carbonyl)thiophene-2-carboxylate
CID 134050453
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 136515250
2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone
CID 79854779
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
CID 110411316

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrrol-2-yl)-(2-benzylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-1-methylpyrrol-2-yl)-(2-benzylpyrrolidin-1-yl)methanone (CID 61106055) is (4-amino-1-methylpyrrol-2-yl)-(2-benzylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-methylpyrrol-2-yl)-(2-benzylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-methylpyrrol-2-yl)-(2-benzylpyrrolidin-1-yl)methanone is Cn1cc(N)cc1C(=O)N1CCCC1Cc1ccccc1.
What is the InChIKey of (4-amino-1-methylpyrrol-2-yl)-(2-benzylpyrrolidin-1-yl)methanone?
The InChIKey is ZWOSQOTXILBXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-19-12-14(18)11-16(19)17(21)20-9-5-8-15(20)10-13-6-3-2-4-7-13/h2-4,6-7,11-12,15H,5,8-10,18H2,1H3.
What are the key properties of (4-amino-1-methylpyrrol-2-yl)-(2-benzylpyrrolidin-1-yl)methanone?
(4-amino-1-methylpyrrol-2-yl)-(2-benzylpyrrolidin-1-yl)methanone has a molecular weight of 283.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrrol-2-yl)-(2-benzylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 61106055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).