5-[1-(4-methylpiperazin-1-yl)ethenyl]-2H-pyrrol-3-amine

C11H18N4 — CID 129029104

IUPAC5-[1-(4-methylpiperazin-1-yl)ethenyl]-2H-pyrrol-3-amine
SMILESC=C(C1=NCC(N)=C1)N1CCN(C)CC1
InChIInChI=1S/C11H18N4/c1-9(11-7-10(12)8-13-11)15-5-3-14(2)4-6-15/h7H,1,3-6,8,12H2,2H3
InChIKeyWGPHNZKPCPBDML-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.04
Rot. Bonds2

About 5-[1-(4-methylpiperazin-1-yl)ethenyl]-2H-pyrrol-3-amine

5-[1-(4-methylpiperazin-1-yl)ethenyl]-2H-pyrrol-3-amine (PubChem CID 129029104) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-[1-(4-methylpiperazin-1-yl)ethenyl]-2H-pyrrol-3-amine.

Molecular Properties

Compound Name5-[1-(4-methylpiperazin-1-yl)ethenyl]-2H-pyrrol-3-amine
PubChem CID129029104
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name5-[1-(4-methylpiperazin-1-yl)ethenyl]-2H-pyrrol-3-amine
SMILESC=C(C1=NCC(N)=C1)N1CCN(C)CC1
InChIInChI=1S/C11H18N4/c1-9(11-7-10(12)8-13-11)15-5-3-14(2)4-6-15/h7H,1,3-6,8,12H2,2H3
InChIKeyWGPHNZKPCPBDML-UHFFFAOYSA-N
XLogP0.04
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methylpiperazin-1-yl)ethenyl]-2H-pyrrol-3-amine?
The IUPAC name of 5-[1-(4-methylpiperazin-1-yl)ethenyl]-2H-pyrrol-3-amine (CID 129029104) is 5-[1-(4-methylpiperazin-1-yl)ethenyl]-2H-pyrrol-3-amine.
What is the SMILES notation for 5-[1-(4-methylpiperazin-1-yl)ethenyl]-2H-pyrrol-3-amine?
The canonical SMILES for 5-[1-(4-methylpiperazin-1-yl)ethenyl]-2H-pyrrol-3-amine is C=C(C1=NCC(N)=C1)N1CCN(C)CC1.
What is the InChIKey of 5-[1-(4-methylpiperazin-1-yl)ethenyl]-2H-pyrrol-3-amine?
The InChIKey is WGPHNZKPCPBDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-9(11-7-10(12)8-13-11)15-5-3-14(2)4-6-15/h7H,1,3-6,8,12H2,2H3.
What are the key properties of 5-[1-(4-methylpiperazin-1-yl)ethenyl]-2H-pyrrol-3-amine?
5-[1-(4-methylpiperazin-1-yl)ethenyl]-2H-pyrrol-3-amine has a molecular weight of 206.29 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methylpiperazin-1-yl)ethenyl]-2H-pyrrol-3-amine is sourced from PubChem (CID 129029104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).