1-methyl-4-nitropyrrole-2-carbohydrazide

C6H8N4O3 — CID 8934580

IUPAC1-methyl-4-nitropyrrole-2-carbohydrazide
SMILESCn1cc([N+](=O)[O-])cc1C(=O)NN
InChIInChI=1S/C6H8N4O3/c1-9-3-4(10(12)13)2-5(9)6(11)8-7/h2-3H,7H2,1H3,(H,8,11)
InChIKeyPKCOVLHJXVUBOX-UHFFFAOYSA-N
MW184.16 g/mol
LogP-0.46
Rot. Bonds2

About 1-methyl-4-nitropyrrole-2-carbohydrazide

1-methyl-4-nitropyrrole-2-carbohydrazide (PubChem CID 8934580) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is 1-methyl-4-nitropyrrole-2-carbohydrazide.

Molecular Properties

Compound Name1-methyl-4-nitropyrrole-2-carbohydrazide
PubChem CID8934580
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC Name1-methyl-4-nitropyrrole-2-carbohydrazide
SMILESCn1cc([N+](=O)[O-])cc1C(=O)NN
InChIInChI=1S/C6H8N4O3/c1-9-3-4(10(12)13)2-5(9)6(11)8-7/h2-3H,7H2,1H3,(H,8,11)
InChIKeyPKCOVLHJXVUBOX-UHFFFAOYSA-N
XLogP-0.46
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 1-methyl-4-nitropyrrole-2-carbohydrazide?
The IUPAC name of 1-methyl-4-nitropyrrole-2-carbohydrazide (CID 8934580) is 1-methyl-4-nitropyrrole-2-carbohydrazide.
What is the SMILES notation for 1-methyl-4-nitropyrrole-2-carbohydrazide?
The canonical SMILES for 1-methyl-4-nitropyrrole-2-carbohydrazide is Cn1cc([N+](=O)[O-])cc1C(=O)NN.
What is the InChIKey of 1-methyl-4-nitropyrrole-2-carbohydrazide?
The InChIKey is PKCOVLHJXVUBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c1-9-3-4(10(12)13)2-5(9)6(11)8-7/h2-3H,7H2,1H3,(H,8,11).
What are the key properties of 1-methyl-4-nitropyrrole-2-carbohydrazide?
1-methyl-4-nitropyrrole-2-carbohydrazide has a molecular weight of 184.16 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitropyrrole-2-carbohydrazide is sourced from PubChem (CID 8934580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).