N-ethenyl-3-ethyl-5-methylidene-2H-pyrrol-1-amine

C9H14N2 — CID 167021237

IUPACN-ethenyl-3-ethyl-5-methylidene-2H-pyrrol-1-amine
SMILESC=CNN1CC(CC)=CC1=C
InChIInChI=1S/C9H14N2/c1-4-9-6-8(3)11(7-9)10-5-2/h5-6,10H,2-4,7H2,1H3
InChIKeyNJUWXCCXIZEURD-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.80
Rot. Bonds3

About N-ethenyl-3-ethyl-5-methylidene-2H-pyrrol-1-amine

N-ethenyl-3-ethyl-5-methylidene-2H-pyrrol-1-amine (PubChem CID 167021237) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-ethenyl-3-ethyl-5-methylidene-2H-pyrrol-1-amine.

Molecular Properties

Compound NameN-ethenyl-3-ethyl-5-methylidene-2H-pyrrol-1-amine
PubChem CID167021237
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-ethenyl-3-ethyl-5-methylidene-2H-pyrrol-1-amine
SMILESC=CNN1CC(CC)=CC1=C
InChIInChI=1S/C9H14N2/c1-4-9-6-8(3)11(7-9)10-5-2/h5-6,10H,2-4,7H2,1H3
InChIKeyNJUWXCCXIZEURD-UHFFFAOYSA-N
XLogP1.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethenyl-3-ethyl-5-methylidene-2H-pyrrol-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-ethyl-5-methylidene-2H-pyrrol-1-amine?
The IUPAC name of N-ethenyl-3-ethyl-5-methylidene-2H-pyrrol-1-amine (CID 167021237) is N-ethenyl-3-ethyl-5-methylidene-2H-pyrrol-1-amine.
What is the SMILES notation for N-ethenyl-3-ethyl-5-methylidene-2H-pyrrol-1-amine?
The canonical SMILES for N-ethenyl-3-ethyl-5-methylidene-2H-pyrrol-1-amine is C=CNN1CC(CC)=CC1=C.
What is the InChIKey of N-ethenyl-3-ethyl-5-methylidene-2H-pyrrol-1-amine?
The InChIKey is NJUWXCCXIZEURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-9-6-8(3)11(7-9)10-5-2/h5-6,10H,2-4,7H2,1H3.
What are the key properties of N-ethenyl-3-ethyl-5-methylidene-2H-pyrrol-1-amine?
N-ethenyl-3-ethyl-5-methylidene-2H-pyrrol-1-amine has a molecular weight of 150.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-ethyl-5-methylidene-2H-pyrrol-1-amine is sourced from PubChem (CID 167021237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).