2-amino-N-propyl-1H-pyrrole-3-carboximidoyl chloride

C8H12ClN3 — CID 137252433

IUPAC2-amino-N-propyl-1H-pyrrole-3-carboximidoyl chloride
SMILESCCC/N=C(\Cl)c1cc[nH]c1N
InChIInChI=1S/C8H12ClN3/c1-2-4-11-7(9)6-3-5-12-8(6)10/h3,5,12H,2,4,10H2,1H3/b11-7-
InChIKeyUNAUSCDQDREQEI-XFFZJAGNSA-N
MW185.66 g/mol
LogP1.99
Rot. Bonds3

About 2-amino-N-propyl-1H-pyrrole-3-carboximidoyl chloride

2-amino-N-propyl-1H-pyrrole-3-carboximidoyl chloride (PubChem CID 137252433) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 2-amino-N-propyl-1H-pyrrole-3-carboximidoyl chloride.

Molecular Properties

Compound Name2-amino-N-propyl-1H-pyrrole-3-carboximidoyl chloride
PubChem CID137252433
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name2-amino-N-propyl-1H-pyrrole-3-carboximidoyl chloride
SMILESCCC/N=C(\Cl)c1cc[nH]c1N
InChIInChI=1S/C8H12ClN3/c1-2-4-11-7(9)6-3-5-12-8(6)10/h3,5,12H,2,4,10H2,1H3/b11-7-
InChIKeyUNAUSCDQDREQEI-XFFZJAGNSA-N
XLogP1.99
TPSA54.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 51.99
H-Bond Donors ≤ 52
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 2-amino-N-propyl-1H-pyrrole-3-carboximidoyl chloride?
The IUPAC name of 2-amino-N-propyl-1H-pyrrole-3-carboximidoyl chloride (CID 137252433) is 2-amino-N-propyl-1H-pyrrole-3-carboximidoyl chloride.
What is the SMILES notation for 2-amino-N-propyl-1H-pyrrole-3-carboximidoyl chloride?
The canonical SMILES for 2-amino-N-propyl-1H-pyrrole-3-carboximidoyl chloride is CCC/N=C(\Cl)c1cc[nH]c1N.
What is the InChIKey of 2-amino-N-propyl-1H-pyrrole-3-carboximidoyl chloride?
The InChIKey is UNAUSCDQDREQEI-XFFZJAGNSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-2-4-11-7(9)6-3-5-12-8(6)10/h3,5,12H,2,4,10H2,1H3/b11-7-.
What are the key properties of 2-amino-N-propyl-1H-pyrrole-3-carboximidoyl chloride?
2-amino-N-propyl-1H-pyrrole-3-carboximidoyl chloride has a molecular weight of 185.66 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-propyl-1H-pyrrole-3-carboximidoyl chloride is sourced from PubChem (CID 137252433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).