3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-en-1-amine

C15H18N2 — CID 169464765

IUPAC3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-en-1-amine
SMILESCc1cc(C=CCN)c(C)n1-c1ccccc1
InChIInChI=1S/C15H18N2/c1-12-11-14(7-6-10-16)13(2)17(12)15-8-4-3-5-9-15/h3-9,11H,10,16H2,1-2H3
InChIKeyPPCVDWSQGGCPAD-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.07
Rot. Bonds3

About 3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-en-1-amine

3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-en-1-amine (PubChem CID 169464765) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-en-1-amine
PubChem CID169464765
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-en-1-amine
SMILESCc1cc(C=CCN)c(C)n1-c1ccccc1
InChIInChI=1S/C15H18N2/c1-12-11-14(7-6-10-16)13(2)17(12)15-8-4-3-5-9-15/h3-9,11H,10,16H2,1-2H3
InChIKeyPPCVDWSQGGCPAD-UHFFFAOYSA-N
XLogP3.07
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-en-1-amine
CID 63970507
benzyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enyl]carbamate
CID 169472972
4-[(E)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-1,3-thiazol-2-amine
CID 116791242
(E)-1-(azetidin-1-yl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-en-1-one
CID 17441452
(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857442
(E)-N-(2,6-diethylphenyl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide
CID 18266697
(Z)-2-cyano-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide
CID 874046
(Z)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-phenylprop-2-enenitrile
CID 1206021
(E)-1-(4-acetyl-1,4-diazepan-1-yl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-en-1-one
CID 134056404
2-[(E)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-1,6-dimethylquinolin-1-ium chloride
CID 169424186
(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 8023208
(E)-N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide
CID 55566812

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-en-1-amine?
The IUPAC name of 3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-en-1-amine (CID 169464765) is 3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-en-1-amine.
What is the SMILES notation for 3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-en-1-amine?
The canonical SMILES for 3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-en-1-amine is Cc1cc(C=CCN)c(C)n1-c1ccccc1.
What is the InChIKey of 3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-en-1-amine?
The InChIKey is PPCVDWSQGGCPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-12-11-14(7-6-10-16)13(2)17(12)15-8-4-3-5-9-15/h3-9,11H,10,16H2,1-2H3.
What are the key properties of 3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-en-1-amine?
3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-en-1-amine has a molecular weight of 226.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 169464765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).