2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)acetohydrazide

C15H17N3O2 — CID 23331712

IUPAC2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)acetohydrazide
SMILESCc1cc(C(=O)c2ccccc2)c(C)n1CC(=O)NN
InChIInChI=1S/C15H17N3O2/c1-10-8-13(11(2)18(10)9-14(19)17-16)15(20)12-6-4-3-5-7-12/h3-8H,9,16H2,1-2H3,(H,17,19)
InChIKeyDYEOMAHIFYHDJT-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.33
Rot. Bonds4

About 2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)acetohydrazide

2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)acetohydrazide (PubChem CID 23331712) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)acetohydrazide
PubChem CID23331712
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)acetohydrazide
SMILESCc1cc(C(=O)c2ccccc2)c(C)n1CC(=O)NN
InChIInChI=1S/C15H17N3O2/c1-10-8-13(11(2)18(10)9-14(19)17-16)15(20)12-6-4-3-5-7-12/h3-8H,9,16H2,1-2H3,(H,17,19)
InChIKeyDYEOMAHIFYHDJT-UHFFFAOYSA-N
XLogP1.33
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-hydroxybutyl)-2,5-dimethylpyrrol-3-yl]-phenylmethanone
CID 23331734
4,6-dibenzoylbenzene-1,3-dicarbohydrazide
CID 141129125
2,5-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrole-3-carboxylic acid
CID 43421967
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
ethyl 2,5-dimethyl-1-[2-(3-methylanilino)-2-oxoethyl]pyrrole-3-carboxylate
CID 9039178
[2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)-4-methylpentyl] acetate
CID 54148191
ethyl 2,5-dimethyl-1-[2-(4-methylanilino)-2-oxoethyl]pyrrole-3-carboxylate
CID 8006583
2-(3-ethoxycarbonyl-2,5-dimethylpyrrol-1-yl)acetic acid
CID 7130686
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
ethyl 2,5-dimethyl-1-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]pyrrole-3-carboxylate
CID 9033538
4-(3-benzoyl-2,5-dimethylpyrrol-1-yl)-2-hydroxybenzoic acid
CID 71591051
ethyl 1-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
CID 9327528

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)acetohydrazide?
The IUPAC name of 2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)acetohydrazide (CID 23331712) is 2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)acetohydrazide?
The canonical SMILES for 2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)acetohydrazide is Cc1cc(C(=O)c2ccccc2)c(C)n1CC(=O)NN.
What is the InChIKey of 2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)acetohydrazide?
The InChIKey is DYEOMAHIFYHDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-8-13(11(2)18(10)9-14(19)17-16)15(20)12-6-4-3-5-7-12/h3-8H,9,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)acetohydrazide?
2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)acetohydrazide has a molecular weight of 271.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)acetohydrazide is sourced from PubChem (CID 23331712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).