3-bromo-N',N'-dimethyl-2-oxopyrrolidine-1-carbohydrazide

C7H12BrN3O2 — CID 19022166

IUPAC3-bromo-N',N'-dimethyl-2-oxopyrrolidine-1-carbohydrazide
SMILESCN(C)NC(=O)N1CCC(Br)C1=O
InChIInChI=1S/C7H12BrN3O2/c1-10(2)9-7(13)11-4-3-5(8)6(11)12/h5H,3-4H2,1-2H3,(H,9,13)
InChIKeyDKIKCDRSHBSQGQ-UHFFFAOYSA-N
MW250.10 g/mol
LogP0.17
Rot. Bonds1

About 3-bromo-N',N'-dimethyl-2-oxopyrrolidine-1-carbohydrazide

3-bromo-N',N'-dimethyl-2-oxopyrrolidine-1-carbohydrazide (PubChem CID 19022166) has the molecular formula C7H12BrN3O2 and a molecular weight of 250.10 g/mol. Its IUPAC name is 3-bromo-N',N'-dimethyl-2-oxopyrrolidine-1-carbohydrazide.

Molecular Properties

Compound Name3-bromo-N',N'-dimethyl-2-oxopyrrolidine-1-carbohydrazide
PubChem CID19022166
Molecular FormulaC7H12BrN3O2
Molecular Weight250.10 g/mol
Exact Mass249.01
IUPAC Name3-bromo-N',N'-dimethyl-2-oxopyrrolidine-1-carbohydrazide
SMILESCN(C)NC(=O)N1CCC(Br)C1=O
InChIInChI=1S/C7H12BrN3O2/c1-10(2)9-7(13)11-4-3-5(8)6(11)12/h5H,3-4H2,1-2H3,(H,9,13)
InChIKeyDKIKCDRSHBSQGQ-UHFFFAOYSA-N
XLogP0.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N',N'-dimethyl-2-oxopyrrolidine-1-carbohydrazide?
The IUPAC name of 3-bromo-N',N'-dimethyl-2-oxopyrrolidine-1-carbohydrazide (CID 19022166) is 3-bromo-N',N'-dimethyl-2-oxopyrrolidine-1-carbohydrazide.
What is the SMILES notation for 3-bromo-N',N'-dimethyl-2-oxopyrrolidine-1-carbohydrazide?
The canonical SMILES for 3-bromo-N',N'-dimethyl-2-oxopyrrolidine-1-carbohydrazide is CN(C)NC(=O)N1CCC(Br)C1=O.
What is the InChIKey of 3-bromo-N',N'-dimethyl-2-oxopyrrolidine-1-carbohydrazide?
The InChIKey is DKIKCDRSHBSQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN3O2/c1-10(2)9-7(13)11-4-3-5(8)6(11)12/h5H,3-4H2,1-2H3,(H,9,13).
What are the key properties of 3-bromo-N',N'-dimethyl-2-oxopyrrolidine-1-carbohydrazide?
3-bromo-N',N'-dimethyl-2-oxopyrrolidine-1-carbohydrazide has a molecular weight of 250.10 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N',N'-dimethyl-2-oxopyrrolidine-1-carbohydrazide is sourced from PubChem (CID 19022166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).