N-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine

C10H10Cl2N2 — CID 659739

IUPACN-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESClc1ccc(NC2=NCCC2)cc1Cl
InChIInChI=1S/C10H10Cl2N2/c11-8-4-3-7(6-9(8)12)14-10-2-1-5-13-10/h3-4,6H,1-2,5H2,(H,13,14)
InChIKeyQJYDWXXPXYARJI-UHFFFAOYSA-N
MW229.11 g/mol
LogP3.60
Rot. Bonds1

About N-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine

N-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 659739) has the molecular formula C10H10Cl2N2 and a molecular weight of 229.11 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID659739
Molecular FormulaC10H10Cl2N2
Molecular Weight229.11 g/mol
Exact Mass228.02
IUPAC NameN-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESClc1ccc(NC2=NCCC2)cc1Cl
InChIInChI=1S/C10H10Cl2N2/c11-8-4-3-7(6-9(8)12)14-10-2-1-5-13-10/h3-4,6H,1-2,5H2,(H,13,14)
InChIKeyQJYDWXXPXYARJI-UHFFFAOYSA-N
XLogP3.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 659739) is N-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine is Clc1ccc(NC2=NCCC2)cc1Cl.
What is the InChIKey of N-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is QJYDWXXPXYARJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2/c11-8-4-3-7(6-9(8)12)14-10-2-1-5-13-10/h3-4,6H,1-2,5H2,(H,13,14).
What are the key properties of N-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 229.11 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 659739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).