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

C11H14ClN3 — CID 89339520

IUPACN'-(3-chlorophenyl)pyrrolidine-1-carboximidamide
SMILESN/C(=N\c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C11H14ClN3/c12-9-4-3-5-10(8-9)14-11(13)15-6-1-2-7-15/h3-5,8H,1-2,6-7H2,(H2,13,14)
InChIKeySRWIFWYZFGYLEI-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.38
Rot. Bonds1

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

N'-(3-chlorophenyl)pyrrolidine-1-carboximidamide (PubChem CID 89339520) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is N'-(3-chlorophenyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)pyrrolidine-1-carboximidamide
PubChem CID89339520
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC NameN'-(3-chlorophenyl)pyrrolidine-1-carboximidamide
SMILESN/C(=N\c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C11H14ClN3/c12-9-4-3-5-10(8-9)14-11(13)15-6-1-2-7-15/h3-5,8H,1-2,6-7H2,(H2,13,14)
InChIKeySRWIFWYZFGYLEI-UHFFFAOYSA-N
XLogP2.38
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide
CID 141426673
N'-(3-chlorophenyl)-4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperazine-1-carboximidamide
CID 67244482
N'-[N'-(3,5-dichlorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 172705203
N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 141426730
N'-(3-chlorophenyl)-2,2-dimethylpropanimidamide
CID 63178650
N'-[N'-(3-phenoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 118055936
N'-(3-chlorophenyl)-2-sulfanylethanimidamide;hydrochloride
CID 21328978
N'-[N'-[3-(hydroxymethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 172853409
N'-(4-methylphenyl)piperidine-1-carboximidamide
CID 11310498
N'-[2-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-carboximidamide
CID 122095345
N'-(3-chlorophenyl)-3,3-dimethylbutanimidamide
CID 67032180
N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]phenyl]butanamide
CID 19599246

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-(3-chlorophenyl)pyrrolidine-1-carboximidamide (CID 89339520) is N'-(3-chlorophenyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-(3-chlorophenyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-(3-chlorophenyl)pyrrolidine-1-carboximidamide is N/C(=N\c1cccc(Cl)c1)N1CCCC1.
What is the InChIKey of N'-(3-chlorophenyl)pyrrolidine-1-carboximidamide?
The InChIKey is SRWIFWYZFGYLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c12-9-4-3-5-10(8-9)14-11(13)15-6-1-2-7-15/h3-5,8H,1-2,6-7H2,(H2,13,14).
What are the key properties of N'-(3-chlorophenyl)pyrrolidine-1-carboximidamide?
N'-(3-chlorophenyl)pyrrolidine-1-carboximidamide has a molecular weight of 223.71 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 89339520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).