2,3-dibromo-1-ethylpyrrolidine

C6H11Br2N — CID 70422899

IUPAC2,3-dibromo-1-ethylpyrrolidine
SMILESCCN1CCC(Br)C1Br
InChIInChI=1S/C6H11Br2N/c1-2-9-4-3-5(7)6(9)8/h5-6H,2-4H2,1H3
InChIKeyANJWVTQNYUQHAK-UHFFFAOYSA-N
MW256.97 g/mol
LogP2.20
Rot. Bonds1

About 2,3-dibromo-1-ethylpyrrolidine

2,3-dibromo-1-ethylpyrrolidine (PubChem CID 70422899) has the molecular formula C6H11Br2N and a molecular weight of 256.97 g/mol. Its IUPAC name is 2,3-dibromo-1-ethylpyrrolidine.

Molecular Properties

Compound Name2,3-dibromo-1-ethylpyrrolidine
PubChem CID70422899
Molecular FormulaC6H11Br2N
Molecular Weight256.97 g/mol
Exact Mass254.93
IUPAC Name2,3-dibromo-1-ethylpyrrolidine
SMILESCCN1CCC(Br)C1Br
InChIInChI=1S/C6H11Br2N/c1-2-9-4-3-5(7)6(9)8/h5-6H,2-4H2,1H3
InChIKeyANJWVTQNYUQHAK-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.97
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2,3-dibromo-1-ethylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Bromobutyl)pyrrolidine hydrobromide
CID 71756026
3-Bromo-1-methylpyrrolidine
CID 13726279
1-(3-Bromopropyl)pyrrolidine hydrobromide
CID 20135920
1-(2-Bromoethyl)pyrrolidine hydrobromide
CID 20137485
2-(Bromomethyl)-1-methylpyrrolidine hydrobromide
CID 56773752
3-(Bromomethyl)-1-methylpyrrolidine hydrobromide
CID 71299895
1-(2-Bromoethyl)pyrrolidine
CID 12440780
(2R)-2-(bromomethyl)-1-methylpyrrolidinehydrobromide
CID 165477637
1-(Bromomethyl)-1-methylpyrrolidinium bromide
CID 86725149
1-(3-Bromopropyl)pyrrolidine
CID 13034044
1-Ethyl-1-methylpyrrolidine bromide
CID 141485274
2,3-dibromo-N,N-diethylpropan-1-amine
CID 3025403

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-1-ethylpyrrolidine?
The IUPAC name of 2,3-dibromo-1-ethylpyrrolidine (CID 70422899) is 2,3-dibromo-1-ethylpyrrolidine.
What is the SMILES notation for 2,3-dibromo-1-ethylpyrrolidine?
The canonical SMILES for 2,3-dibromo-1-ethylpyrrolidine is CCN1CCC(Br)C1Br.
What is the InChIKey of 2,3-dibromo-1-ethylpyrrolidine?
The InChIKey is ANJWVTQNYUQHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br2N/c1-2-9-4-3-5(7)6(9)8/h5-6H,2-4H2,1H3.
What are the key properties of 2,3-dibromo-1-ethylpyrrolidine?
2,3-dibromo-1-ethylpyrrolidine has a molecular weight of 256.97 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-1-ethylpyrrolidine is sourced from PubChem (CID 70422899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).