4-bromo-1-methyl-N'-(2-methylbutanoyl)pyrrole-2-carbohydrazide

C11H16BrN3O2 — CID 42938791

IUPAC4-bromo-1-methyl-N'-(2-methylbutanoyl)pyrrole-2-carbohydrazide
SMILESCCC(C)C(=O)NNC(=O)c1cc(Br)cn1C
InChIInChI=1S/C11H16BrN3O2/c1-4-7(2)10(16)13-14-11(17)9-5-8(12)6-15(9)3/h5-7H,4H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyWUHPQBUNRVSGRL-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.59
Rot. Bonds3

About 4-bromo-1-methyl-N'-(2-methylbutanoyl)pyrrole-2-carbohydrazide

4-bromo-1-methyl-N'-(2-methylbutanoyl)pyrrole-2-carbohydrazide (PubChem CID 42938791) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 4-bromo-1-methyl-N'-(2-methylbutanoyl)pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-1-methyl-N'-(2-methylbutanoyl)pyrrole-2-carbohydrazide
PubChem CID42938791
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name4-bromo-1-methyl-N'-(2-methylbutanoyl)pyrrole-2-carbohydrazide
SMILESCCC(C)C(=O)NNC(=O)c1cc(Br)cn1C
InChIInChI=1S/C11H16BrN3O2/c1-4-7(2)10(16)13-14-11(17)9-5-8(12)6-15(9)3/h5-7H,4H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyWUHPQBUNRVSGRL-UHFFFAOYSA-N
XLogP1.59
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-methyl-N-(2-methylpentan-3-yl)pyrrole-2-carboxamide
CID 61470818
4-bromo-1-methyl-N'-[2-(3-methylbutylsulfanyl)acetyl]pyrrole-2-carbohydrazide
CID 47384629
methyl 2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-methylpentanoate
CID 60701457
4-bromo-1-methyl-N-(4-methylpentan-2-yl)pyrrole-2-carboxamide
CID 43641586
4-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 79250303
(2R)-2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 30063046
(2S)-2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 30063050
4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 27036737
4-bromo-1-methyl-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]pyrrole-2-carbohydrazide
CID 55451726
4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 115622756
N-(4-amino-4-oxobutan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide
CID 115666649
4-bromo-N-hex-5-yn-3-yl-1-methylpyrrole-2-carboxamide
CID 115647133

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N'-(2-methylbutanoyl)pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-1-methyl-N'-(2-methylbutanoyl)pyrrole-2-carbohydrazide (CID 42938791) is 4-bromo-1-methyl-N'-(2-methylbutanoyl)pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-1-methyl-N'-(2-methylbutanoyl)pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-1-methyl-N'-(2-methylbutanoyl)pyrrole-2-carbohydrazide is CCC(C)C(=O)NNC(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-1-methyl-N'-(2-methylbutanoyl)pyrrole-2-carbohydrazide?
The InChIKey is WUHPQBUNRVSGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-4-7(2)10(16)13-14-11(17)9-5-8(12)6-15(9)3/h5-7H,4H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of 4-bromo-1-methyl-N'-(2-methylbutanoyl)pyrrole-2-carbohydrazide?
4-bromo-1-methyl-N'-(2-methylbutanoyl)pyrrole-2-carbohydrazide has a molecular weight of 302.17 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N'-(2-methylbutanoyl)pyrrole-2-carbohydrazide is sourced from PubChem (CID 42938791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).