1-(3-chlorophenyl)pyrrole-2,5-diimine

C10H8ClN3 — CID 149160761

IUPAC1-(3-chlorophenyl)pyrrole-2,5-diimine
SMILES[H]/N=C1\C=C/C(=N\[H])N1c1cccc(Cl)c1
InChIInChI=1S/C10H8ClN3/c11-7-2-1-3-8(6-7)14-9(12)4-5-10(14)13/h1-6,12-13H/b12-9+,13-10+
InChIKeyVACPSXOZRALSGC-JOWSBRCASA-N
MW205.65 g/mol
LogP2.67
Rot. Bonds1

About 1-(3-chlorophenyl)pyrrole-2,5-diimine

1-(3-chlorophenyl)pyrrole-2,5-diimine (PubChem CID 149160761) has the molecular formula C10H8ClN3 and a molecular weight of 205.65 g/mol. Its IUPAC name is 1-(3-chlorophenyl)pyrrole-2,5-diimine.

Molecular Properties

Compound Name1-(3-chlorophenyl)pyrrole-2,5-diimine
PubChem CID149160761
Molecular FormulaC10H8ClN3
Molecular Weight205.65 g/mol
Exact Mass205.04
IUPAC Name1-(3-chlorophenyl)pyrrole-2,5-diimine
SMILES[H]/N=C1\C=C/C(=N\[H])N1c1cccc(Cl)c1
InChIInChI=1S/C10H8ClN3/c11-7-2-1-3-8(6-7)14-9(12)4-5-10(14)13/h1-6,12-13H/b12-9+,13-10+
InChIKeyVACPSXOZRALSGC-JOWSBRCASA-N
XLogP2.67
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chlorophenyl)-1,2,4-triazole-3,5-dione
CID 15179076
1-(3-chlorophenyl)-3-methylpyrrolidine-2,5-dione
CID 71519662
(1S,2R,6R,7S)-4-(3-chlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98173936
1,7,8,9,10,10-hexachloro-4-(3-chlorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 3127128
(1S,2R,6S,7S)-4-(3-chlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98119677
3-(3-chlorophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 97455638
3-(3-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 3713625
1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 3091910
1-(3-chlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione
CID 4743399
1-(3-chlorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 112598230
5,6-bis(3-chlorophenyl)-5,6-diazaspiro[2.4]heptane-4,7-dione
CID 171843838
1-(3-chlorophenyl)azonane
CID 145391535

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)pyrrole-2,5-diimine?
The IUPAC name of 1-(3-chlorophenyl)pyrrole-2,5-diimine (CID 149160761) is 1-(3-chlorophenyl)pyrrole-2,5-diimine.
What is the SMILES notation for 1-(3-chlorophenyl)pyrrole-2,5-diimine?
The canonical SMILES for 1-(3-chlorophenyl)pyrrole-2,5-diimine is [H]/N=C1\C=C/C(=N\[H])N1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)pyrrole-2,5-diimine?
The InChIKey is VACPSXOZRALSGC-JOWSBRCASA-N. The full InChI is InChI=1S/C10H8ClN3/c11-7-2-1-3-8(6-7)14-9(12)4-5-10(14)13/h1-6,12-13H/b12-9+,13-10+.
What are the key properties of 1-(3-chlorophenyl)pyrrole-2,5-diimine?
1-(3-chlorophenyl)pyrrole-2,5-diimine has a molecular weight of 205.65 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)pyrrole-2,5-diimine is sourced from PubChem (CID 149160761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).