N'-[3-(4-chlorophenyl)pyrrol-1-yl]-N,N-dimethylmethanimidamide

C13H14ClN3 — CID 141265784

IUPACN'-[3-(4-chlorophenyl)pyrrol-1-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N\n1ccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C13H14ClN3/c1-16(2)10-15-17-8-7-12(9-17)11-3-5-13(14)6-4-11/h3-10H,1-2H3/b15-10-
InChIKeyAQFOUEODBOORMU-GDNBJRDFSA-N
MW247.73 g/mol
LogP3.16
Rot. Bonds3

About N'-[3-(4-chlorophenyl)pyrrol-1-yl]-N,N-dimethylmethanimidamide

N'-[3-(4-chlorophenyl)pyrrol-1-yl]-N,N-dimethylmethanimidamide (PubChem CID 141265784) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is N'-[3-(4-chlorophenyl)pyrrol-1-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[3-(4-chlorophenyl)pyrrol-1-yl]-N,N-dimethylmethanimidamide
PubChem CID141265784
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC NameN'-[3-(4-chlorophenyl)pyrrol-1-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N\n1ccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C13H14ClN3/c1-16(2)10-15-17-8-7-12(9-17)11-3-5-13(14)6-4-11/h3-10H,1-2H3/b15-10-
InChIKeyAQFOUEODBOORMU-GDNBJRDFSA-N
XLogP3.16
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-chlorophenyl)pyrrol-1-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[3-(4-chlorophenyl)pyrrol-1-yl]-N,N-dimethylmethanimidamide (CID 141265784) is N'-[3-(4-chlorophenyl)pyrrol-1-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[3-(4-chlorophenyl)pyrrol-1-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[3-(4-chlorophenyl)pyrrol-1-yl]-N,N-dimethylmethanimidamide is CN(C)/C=N\n1ccc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of N'-[3-(4-chlorophenyl)pyrrol-1-yl]-N,N-dimethylmethanimidamide?
The InChIKey is AQFOUEODBOORMU-GDNBJRDFSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-16(2)10-15-17-8-7-12(9-17)11-3-5-13(14)6-4-11/h3-10H,1-2H3/b15-10-.
What are the key properties of N'-[3-(4-chlorophenyl)pyrrol-1-yl]-N,N-dimethylmethanimidamide?
N'-[3-(4-chlorophenyl)pyrrol-1-yl]-N,N-dimethylmethanimidamide has a molecular weight of 247.73 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-chlorophenyl)pyrrol-1-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 141265784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).