N-ethenyl-2-ethenyliminopyrrol-3-amine

C8H9N3 — CID 123774889

IUPACN-ethenyl-2-ethenyliminopyrrol-3-amine
SMILESC=C/N=C1\N=CC=C1NC=C
InChIInChI=1S/C8H9N3/c1-3-9-7-5-6-11-8(7)10-4-2/h3-6H,1-2H2,(H,9,10,11)
InChIKeyRUEHCXFNRFLEOX-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.23
Rot. Bonds3

About N-ethenyl-2-ethenyliminopyrrol-3-amine

N-ethenyl-2-ethenyliminopyrrol-3-amine (PubChem CID 123774889) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is N-ethenyl-2-ethenyliminopyrrol-3-amine.

Molecular Properties

Compound NameN-ethenyl-2-ethenyliminopyrrol-3-amine
PubChem CID123774889
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC NameN-ethenyl-2-ethenyliminopyrrol-3-amine
SMILESC=C/N=C1\N=CC=C1NC=C
InChIInChI=1S/C8H9N3/c1-3-9-7-5-6-11-8(7)10-4-2/h3-6H,1-2H2,(H,9,10,11)
InChIKeyRUEHCXFNRFLEOX-UHFFFAOYSA-N
XLogP1.23
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-ethenyliminopyrrol-3-amine?
The IUPAC name of N-ethenyl-2-ethenyliminopyrrol-3-amine (CID 123774889) is N-ethenyl-2-ethenyliminopyrrol-3-amine.
What is the SMILES notation for N-ethenyl-2-ethenyliminopyrrol-3-amine?
The canonical SMILES for N-ethenyl-2-ethenyliminopyrrol-3-amine is C=C/N=C1\N=CC=C1NC=C.
What is the InChIKey of N-ethenyl-2-ethenyliminopyrrol-3-amine?
The InChIKey is RUEHCXFNRFLEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-3-9-7-5-6-11-8(7)10-4-2/h3-6H,1-2H2,(H,9,10,11).
What are the key properties of N-ethenyl-2-ethenyliminopyrrol-3-amine?
N-ethenyl-2-ethenyliminopyrrol-3-amine has a molecular weight of 147.18 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-ethenyliminopyrrol-3-amine is sourced from PubChem (CID 123774889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).