1-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]-2-phenylethanone

C17H22N2O — CID 23487

IUPAC1-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]-2-phenylethanone
SMILESCC(Cn1cccc1C(=O)Cc1ccccc1)N(C)C
InChIInChI=1S/C17H22N2O/c1-14(18(2)3)13-19-11-7-10-16(19)17(20)12-15-8-5-4-6-9-15/h4-11,14H,12-13H2,1-3H3
InChIKeyYOBABESXEMJNDK-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.86
Rot. Bonds6

About 1-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]-2-phenylethanone

1-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]-2-phenylethanone (PubChem CID 23487) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]-2-phenylethanone
PubChem CID23487
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]-2-phenylethanone
SMILESCC(Cn1cccc1C(=O)Cc1ccccc1)N(C)C
InChIInChI=1S/C17H22N2O/c1-14(18(2)3)13-19-11-7-10-16(19)17(20)12-15-8-5-4-6-9-15/h4-11,14H,12-13H2,1-3H3
InChIKeyYOBABESXEMJNDK-UHFFFAOYSA-N
XLogP2.86
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]-2-phenylethanone;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 138401641
1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83029854
1-(dimethylamino)ethyl 2-phenylacetate
CID 88661320
1-indol-1-yl-N,N-dimethylpropan-2-amine
CID 154694251
N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 810278
2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]-methylamino]butanoic acid
CID 114608775
3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]-ethylamino]-2-methylpropanoic acid
CID 114608807
N,2-diphenyl-N-(2-phenylacetyl)acetamide
CID 23298384
ethyl 1-(2-methylbutyl)pyrrole-2-carboxylate
CID 102604439
1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one
CID 54946725
methyl (3S)-3-[(1-benzylpyrrole-2-carbonyl)amino]butanoate
CID 95933774
1-(2-phenylacetyl)pyrrole-2-carboxylic acid
CID 138559871

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]-2-phenylethanone?
The IUPAC name of 1-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]-2-phenylethanone (CID 23487) is 1-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]-2-phenylethanone.
What is the SMILES notation for 1-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]-2-phenylethanone?
The canonical SMILES for 1-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]-2-phenylethanone is CC(Cn1cccc1C(=O)Cc1ccccc1)N(C)C.
What is the InChIKey of 1-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]-2-phenylethanone?
The InChIKey is YOBABESXEMJNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-14(18(2)3)13-19-11-7-10-16(19)17(20)12-15-8-5-4-6-9-15/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 1-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]-2-phenylethanone?
1-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]-2-phenylethanone has a molecular weight of 270.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]-2-phenylethanone is sourced from PubChem (CID 23487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).