1-(4-amino-2-methyl-5-phenyl-1-propylpyrrol-3-yl)ethanone

C16H20N2O — CID 12789006

IUPAC1-(4-amino-2-methyl-5-phenyl-1-propylpyrrol-3-yl)ethanone
SMILESCCCn1c(C)c(C(C)=O)c(N)c1-c1ccccc1
InChIInChI=1S/C16H20N2O/c1-4-10-18-11(2)14(12(3)19)15(17)16(18)13-8-6-5-7-9-13/h5-9H,4,10,17H2,1-3H3
InChIKeyUWQCNBNODRCNIV-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.66
Rot. Bonds4

About 1-(4-amino-2-methyl-5-phenyl-1-propylpyrrol-3-yl)ethanone

1-(4-amino-2-methyl-5-phenyl-1-propylpyrrol-3-yl)ethanone (PubChem CID 12789006) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(4-amino-2-methyl-5-phenyl-1-propylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-2-methyl-5-phenyl-1-propylpyrrol-3-yl)ethanone
PubChem CID12789006
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(4-amino-2-methyl-5-phenyl-1-propylpyrrol-3-yl)ethanone
SMILESCCCn1c(C)c(C(C)=O)c(N)c1-c1ccccc1
InChIInChI=1S/C16H20N2O/c1-4-10-18-11(2)14(12(3)19)15(17)16(18)13-8-6-5-7-9-13/h5-9H,4,10,17H2,1-3H3
InChIKeyUWQCNBNODRCNIV-UHFFFAOYSA-N
XLogP3.66
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetyl-2,4-dimethyl-5-phenylpyrrol-1-yl)acetic acid
CID 15877242
4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid
CID 162039743
ethyl 1-butyl-2,4-dimethyl-5-phenylpyrrole-3-carboxylate
CID 102196273
2,3,5,6-tetraphenyl-1-propylpyridin-4-one
CID 73057320
2-(1-butyl-2-methyl-4,5-diphenylpyrrol-3-yl)acetic acid
CID 10066284
2-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-1-phenylethanone
CID 804713
1-(1,2-dimethyl-4-nitro-5-phenylpyrrol-3-yl)ethanone
CID 14616642
5-phenyl-4-propyl-1,2,4-triazol-3-amine
CID 162403538
4-acetyl-3-methyl-2-tetradecylisoquinolin-1-one
CID 175145957
1-(2-chloro-1-propylindol-3-yl)ethanone
CID 82268364
3-methyl-2,6-diphenyl-1-propylpyridin-4-one
CID 14517569
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491439

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methyl-5-phenyl-1-propylpyrrol-3-yl)ethanone?
The IUPAC name of 1-(4-amino-2-methyl-5-phenyl-1-propylpyrrol-3-yl)ethanone (CID 12789006) is 1-(4-amino-2-methyl-5-phenyl-1-propylpyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(4-amino-2-methyl-5-phenyl-1-propylpyrrol-3-yl)ethanone?
The canonical SMILES for 1-(4-amino-2-methyl-5-phenyl-1-propylpyrrol-3-yl)ethanone is CCCn1c(C)c(C(C)=O)c(N)c1-c1ccccc1.
What is the InChIKey of 1-(4-amino-2-methyl-5-phenyl-1-propylpyrrol-3-yl)ethanone?
The InChIKey is UWQCNBNODRCNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-10-18-11(2)14(12(3)19)15(17)16(18)13-8-6-5-7-9-13/h5-9H,4,10,17H2,1-3H3.
What are the key properties of 1-(4-amino-2-methyl-5-phenyl-1-propylpyrrol-3-yl)ethanone?
1-(4-amino-2-methyl-5-phenyl-1-propylpyrrol-3-yl)ethanone has a molecular weight of 256.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methyl-5-phenyl-1-propylpyrrol-3-yl)ethanone is sourced from PubChem (CID 12789006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).