sodium;2-methylidene-3-oxocyclopentane-1-carboxylic acid;pyridine-4-carbohydrazide

C13H15N3NaO4+ — CID 54605407

IUPACsodium;2-methylidene-3-oxocyclopentane-1-carboxylic acid;pyridine-4-carbohydrazide
SMILESC=C1C(=O)CCC1C(=O)O.NNC(=O)c1ccncc1.[Na+]
InChIInChI=1S/C7H8O3.C6H7N3O.Na/c1-4-5(7(9)10)2-3-6(4)8;7-9-6(10)5-1-3-8-4-2-5;/h5H,1-3H2,(H,9,10);1-4H,7H2,(H,9,10);/q;;+1
InChIKeyZUQRWWCNRXYYKC-UHFFFAOYSA-N
MW300.27 g/mol
LogP-2.70
Rot. Bonds2

About sodium;2-methylidene-3-oxocyclopentane-1-carboxylic acid;pyridine-4-carbohydrazide

sodium;2-methylidene-3-oxocyclopentane-1-carboxylic acid;pyridine-4-carbohydrazide (PubChem CID 54605407) has the molecular formula C13H15N3NaO4+ and a molecular weight of 300.27 g/mol. Its IUPAC name is sodium;2-methylidene-3-oxocyclopentane-1-carboxylic acid;pyridine-4-carbohydrazide.

Molecular Properties

Compound Namesodium;2-methylidene-3-oxocyclopentane-1-carboxylic acid;pyridine-4-carbohydrazide
PubChem CID54605407
Molecular FormulaC13H15N3NaO4+
Molecular Weight300.27 g/mol
Exact Mass300.10
IUPAC Namesodium;2-methylidene-3-oxocyclopentane-1-carboxylic acid;pyridine-4-carbohydrazide
SMILESC=C1C(=O)CCC1C(=O)O.NNC(=O)c1ccncc1.[Na+]
InChIInChI=1S/C7H8O3.C6H7N3O.Na/c1-4-5(7(9)10)2-3-6(4)8;7-9-6(10)5-1-3-8-4-2-5;/h5H,1-3H2,(H,9,10);1-4H,7H2,(H,9,10);/q;;+1
InChIKeyZUQRWWCNRXYYKC-UHFFFAOYSA-N
XLogP-2.70
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 5-2.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 69045386
CID 69045386
pyridine-4-carbohydrazide;trihydrate;hydrochloride
CID 67630424
molybdenum;pentane-2,4-dione;pyridine-4-carbohydrazide
CID 161308535
hydrazinecarboxylic acid;pyridine-4-carboxylic acid
CID 161178249
(4Z)-4-ethenylhepta-4,6-dien-1-amine;formaldehyde;pyridine-4-carbohydrazide
CID 144925725
N-cyclopentylpyridine-4-carboxamide
CID 4212000
2-hydroxybenzaldehyde;pyridine-4-carbohydrazide
CID 90002677
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride
CID 53312688
N-(6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 62492175
pyridazine-4-carbohydrazide;hydrochloride
CID 122236542
N-cyclohexylpyridine-4-carboxamide
CID 3436730

Frequently Asked Questions

What is the IUPAC name of sodium;2-methylidene-3-oxocyclopentane-1-carboxylic acid;pyridine-4-carbohydrazide?
The IUPAC name of sodium;2-methylidene-3-oxocyclopentane-1-carboxylic acid;pyridine-4-carbohydrazide (CID 54605407) is sodium;2-methylidene-3-oxocyclopentane-1-carboxylic acid;pyridine-4-carbohydrazide.
What is the SMILES notation for sodium;2-methylidene-3-oxocyclopentane-1-carboxylic acid;pyridine-4-carbohydrazide?
The canonical SMILES for sodium;2-methylidene-3-oxocyclopentane-1-carboxylic acid;pyridine-4-carbohydrazide is C=C1C(=O)CCC1C(=O)O.NNC(=O)c1ccncc1.[Na+].
What is the InChIKey of sodium;2-methylidene-3-oxocyclopentane-1-carboxylic acid;pyridine-4-carbohydrazide?
The InChIKey is ZUQRWWCNRXYYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3.C6H7N3O.Na/c1-4-5(7(9)10)2-3-6(4)8;7-9-6(10)5-1-3-8-4-2-5;/h5H,1-3H2,(H,9,10);1-4H,7H2,(H,9,10);/q;;+1.
What are the key properties of sodium;2-methylidene-3-oxocyclopentane-1-carboxylic acid;pyridine-4-carbohydrazide?
sodium;2-methylidene-3-oxocyclopentane-1-carboxylic acid;pyridine-4-carbohydrazide has a molecular weight of 300.27 g/mol, XLogP of -2.70, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-methylidene-3-oxocyclopentane-1-carboxylic acid;pyridine-4-carbohydrazide is sourced from PubChem (CID 54605407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).