N'-(3-chloroanilino)pyrrolidine-1-carboximidamide

C11H15ClN4 — CID 10376949

IUPACN'-(3-chloroanilino)pyrrolidine-1-carboximidamide
SMILESN/C(=N\Nc1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C11H15ClN4/c12-9-4-3-5-10(8-9)14-15-11(13)16-6-1-2-7-16/h3-5,8,14H,1-2,6-7H2,(H2,13,15)
InChIKeyLLDLTNJBTONOSP-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.08
Rot. Bonds2

About N'-(3-chloroanilino)pyrrolidine-1-carboximidamide

N'-(3-chloroanilino)pyrrolidine-1-carboximidamide (PubChem CID 10376949) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is N'-(3-chloroanilino)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(3-chloroanilino)pyrrolidine-1-carboximidamide
PubChem CID10376949
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC NameN'-(3-chloroanilino)pyrrolidine-1-carboximidamide
SMILESN/C(=N\Nc1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C11H15ClN4/c12-9-4-3-5-10(8-9)14-15-11(13)16-6-1-2-7-16/h3-5,8,14H,1-2,6-7H2,(H2,13,15)
InChIKeyLLDLTNJBTONOSP-UHFFFAOYSA-N
XLogP2.08
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-chloroanilino)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-(3-chloroanilino)pyrrolidine-1-carboximidamide (CID 10376949) is N'-(3-chloroanilino)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-(3-chloroanilino)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-(3-chloroanilino)pyrrolidine-1-carboximidamide is N/C(=N\Nc1cccc(Cl)c1)N1CCCC1.
What is the InChIKey of N'-(3-chloroanilino)pyrrolidine-1-carboximidamide?
The InChIKey is LLDLTNJBTONOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4/c12-9-4-3-5-10(8-9)14-15-11(13)16-6-1-2-7-16/h3-5,8,14H,1-2,6-7H2,(H2,13,15).
What are the key properties of N'-(3-chloroanilino)pyrrolidine-1-carboximidamide?
N'-(3-chloroanilino)pyrrolidine-1-carboximidamide has a molecular weight of 238.72 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloroanilino)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 10376949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).