N-methyl-2-(methylideneamino)-1H-pyrrole-3-carboximidoyl chloride

C7H8ClN3 — CID 136627549

IUPACN-methyl-2-(methylideneamino)-1H-pyrrole-3-carboximidoyl chloride
SMILESC=Nc1[nH]ccc1/C(Cl)=N/C
InChIInChI=1S/C7H8ClN3/c1-9-6(8)5-3-4-11-7(5)10-2/h3-4,11H,2H2,1H3/b9-6-
InChIKeyPZYQGIWAEJJWPX-TWGQIWQCSA-N
MW169.61 g/mol
LogP1.96
Rot. Bonds2

About N-methyl-2-(methylideneamino)-1H-pyrrole-3-carboximidoyl chloride

N-methyl-2-(methylideneamino)-1H-pyrrole-3-carboximidoyl chloride (PubChem CID 136627549) has the molecular formula C7H8ClN3 and a molecular weight of 169.61 g/mol. Its IUPAC name is N-methyl-2-(methylideneamino)-1H-pyrrole-3-carboximidoyl chloride.

Molecular Properties

Compound NameN-methyl-2-(methylideneamino)-1H-pyrrole-3-carboximidoyl chloride
PubChem CID136627549
Molecular FormulaC7H8ClN3
Molecular Weight169.61 g/mol
Exact Mass169.04
IUPAC NameN-methyl-2-(methylideneamino)-1H-pyrrole-3-carboximidoyl chloride
SMILESC=Nc1[nH]ccc1/C(Cl)=N/C
InChIInChI=1S/C7H8ClN3/c1-9-6(8)5-3-4-11-7(5)10-2/h3-4,11H,2H2,1H3/b9-6-
InChIKeyPZYQGIWAEJJWPX-TWGQIWQCSA-N
XLogP1.96
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-2-(methylideneamino)-1H-pyrrole-3-carboximidoyl chloride 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-methyl-2-(methylideneamino)-1H-pyrrole-3-carboximidoyl chloride?
The IUPAC name of N-methyl-2-(methylideneamino)-1H-pyrrole-3-carboximidoyl chloride (CID 136627549) is N-methyl-2-(methylideneamino)-1H-pyrrole-3-carboximidoyl chloride.
What is the SMILES notation for N-methyl-2-(methylideneamino)-1H-pyrrole-3-carboximidoyl chloride?
The canonical SMILES for N-methyl-2-(methylideneamino)-1H-pyrrole-3-carboximidoyl chloride is C=Nc1[nH]ccc1/C(Cl)=N/C.
What is the InChIKey of N-methyl-2-(methylideneamino)-1H-pyrrole-3-carboximidoyl chloride?
The InChIKey is PZYQGIWAEJJWPX-TWGQIWQCSA-N. The full InChI is InChI=1S/C7H8ClN3/c1-9-6(8)5-3-4-11-7(5)10-2/h3-4,11H,2H2,1H3/b9-6-.
What are the key properties of N-methyl-2-(methylideneamino)-1H-pyrrole-3-carboximidoyl chloride?
N-methyl-2-(methylideneamino)-1H-pyrrole-3-carboximidoyl chloride has a molecular weight of 169.61 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylideneamino)-1H-pyrrole-3-carboximidoyl chloride is sourced from PubChem (CID 136627549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).