2-[[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]ethanol

C15H16Cl2N2O — CID 2317547

IUPAC2-[[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]ethanol
SMILESCc1cc(/C=N/CCO)c(C)n1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-10-7-12(9-18-5-6-20)11(2)19(10)15-8-13(16)3-4-14(15)17/h3-4,7-9,20H,5-6H2,1-2H3/b18-9+
InChIKeyZANYFDPOMLMAHF-GIJQJNRQSA-N
MW311.21 g/mol
LogP3.81
Rot. Bonds4

About 2-[[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]ethanol

2-[[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]ethanol (PubChem CID 2317547) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 2-[[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]ethanol.

Molecular Properties

Compound Name2-[[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]ethanol
PubChem CID2317547
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name2-[[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]ethanol
SMILESCc1cc(/C=N/CCO)c(C)n1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-10-7-12(9-18-5-6-20)11(2)19(10)15-8-13(16)3-4-14(15)17/h3-4,7-9,20H,5-6H2,1-2H3/b18-9+
InChIKeyZANYFDPOMLMAHF-GIJQJNRQSA-N
XLogP3.81
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]ethanol?
The IUPAC name of 2-[[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]ethanol (CID 2317547) is 2-[[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]ethanol.
What is the SMILES notation for 2-[[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]ethanol?
The canonical SMILES for 2-[[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]ethanol is Cc1cc(/C=N/CCO)c(C)n1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]ethanol?
The InChIKey is ZANYFDPOMLMAHF-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-10-7-12(9-18-5-6-20)11(2)19(10)15-8-13(16)3-4-14(15)17/h3-4,7-9,20H,5-6H2,1-2H3/b18-9+.
What are the key properties of 2-[[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]ethanol?
2-[[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]ethanol has a molecular weight of 311.21 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]ethanol is sourced from PubChem (CID 2317547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).