N-ethenyl-2-methyliminopyrrol-3-amine

C7H9N3 — CID 134292836

IUPACN-ethenyl-2-methyliminopyrrol-3-amine
SMILESC=CNC1=CC=N/C1=N\C
InChIInChI=1S/C7H9N3/c1-3-9-6-4-5-10-7(6)8-2/h3-5H,1H2,2H3,(H,8,9,10)
InChIKeyQVMQUGLVSCEOPL-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.72
Rot. Bonds2

About N-ethenyl-2-methyliminopyrrol-3-amine

N-ethenyl-2-methyliminopyrrol-3-amine (PubChem CID 134292836) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is N-ethenyl-2-methyliminopyrrol-3-amine.

Molecular Properties

Compound NameN-ethenyl-2-methyliminopyrrol-3-amine
PubChem CID134292836
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC NameN-ethenyl-2-methyliminopyrrol-3-amine
SMILESC=CNC1=CC=N/C1=N\C
InChIInChI=1S/C7H9N3/c1-3-9-6-4-5-10-7(6)8-2/h3-5H,1H2,2H3,(H,8,9,10)
InChIKeyQVMQUGLVSCEOPL-UHFFFAOYSA-N
XLogP0.72
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 89509482
CID 89509482
CID 123774889
CID 123774889
CID 130436156
CID 130436156
CID 134292837
CID 134292837
CID 137220482
CID 137220482
CID 146643657
CID 146643657
CID 156512404
CID 156512404
CID 157028997
CID 157028997
CID 163781501
CID 163781501
CID 164022508
CID 164022508
CID 166688955
CID 166688955
CID 171622679
CID 171622679

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-methyliminopyrrol-3-amine?
The IUPAC name of N-ethenyl-2-methyliminopyrrol-3-amine (CID 134292836) is N-ethenyl-2-methyliminopyrrol-3-amine.
What is the SMILES notation for N-ethenyl-2-methyliminopyrrol-3-amine?
The canonical SMILES for N-ethenyl-2-methyliminopyrrol-3-amine is C=CNC1=CC=N/C1=N\C.
What is the InChIKey of N-ethenyl-2-methyliminopyrrol-3-amine?
The InChIKey is QVMQUGLVSCEOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-3-9-6-4-5-10-7(6)8-2/h3-5H,1H2,2H3,(H,8,9,10).
What are the key properties of N-ethenyl-2-methyliminopyrrol-3-amine?
N-ethenyl-2-methyliminopyrrol-3-amine has a molecular weight of 135.17 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-methyliminopyrrol-3-amine is sourced from PubChem (CID 134292836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).