4-acetyl-1H-pyrrole-2-carbohydrazide

C7H9N3O2 — CID 2768115

IUPAC4-acetyl-1H-pyrrole-2-carbohydrazide
SMILESCC(=O)c1c[nH]c(C(=O)NN)c1
InChIInChI=1S/C7H9N3O2/c1-4(11)5-2-6(9-3-5)7(12)10-8/h2-3,9H,8H2,1H3,(H,10,12)
InChIKeyAVYAAHSFYODHLB-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.18
Rot. Bonds2

About 4-acetyl-1H-pyrrole-2-carbohydrazide

4-acetyl-1H-pyrrole-2-carbohydrazide (PubChem CID 2768115) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 4-acetyl-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-acetyl-1H-pyrrole-2-carbohydrazide
PubChem CID2768115
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name4-acetyl-1H-pyrrole-2-carbohydrazide
SMILESCC(=O)c1c[nH]c(C(=O)NN)c1
InChIInChI=1S/C7H9N3O2/c1-4(11)5-2-6(9-3-5)7(12)10-8/h2-3,9H,8H2,1H3,(H,10,12)
InChIKeyAVYAAHSFYODHLB-UHFFFAOYSA-N
XLogP-0.18
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

4-acetyl-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide
CID 43394553
4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
CID 83039375
4-acetyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide
CID 103933422
4-acetyl-N-(6-hydroxyhexyl)-1H-pyrrole-2-carboxamide
CID 103918698
4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
CID 43394554
4-acetyl-N-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 171483228
4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide
CID 43392898
4-acetyl-N-piperidin-1-yl-1H-pyrrole-2-carboxamide
CID 9083903
(2S,3S)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-3-methylpentanoic acid
CID 61132584
4-acetyl-N-[1-(hydroxymethyl)cyclohexyl]-1H-pyrrole-2-carboxamide
CID 62521821
(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 113353042
methyl 6-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]hexanoate
CID 31841297

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-acetyl-1H-pyrrole-2-carbohydrazide (CID 2768115) is 4-acetyl-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-acetyl-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-acetyl-1H-pyrrole-2-carbohydrazide is CC(=O)c1c[nH]c(C(=O)NN)c1.
What is the InChIKey of 4-acetyl-1H-pyrrole-2-carbohydrazide?
The InChIKey is AVYAAHSFYODHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-4(11)5-2-6(9-3-5)7(12)10-8/h2-3,9H,8H2,1H3,(H,10,12).
What are the key properties of 4-acetyl-1H-pyrrole-2-carbohydrazide?
4-acetyl-1H-pyrrole-2-carbohydrazide has a molecular weight of 167.17 g/mol, XLogP of -0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 2768115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).