4-[2-(3-hydroxynaphthalene-2-carbonyl)hydrazinyl]-4-oxobutanoate

C15H13N2O5- — CID 7034789

IUPAC4-[2-(3-hydroxynaphthalene-2-carbonyl)hydrazinyl]-4-oxobutanoate
SMILESO=C([O-])CCC(=O)NNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C15H14N2O5/c18-12-8-10-4-2-1-3-9(10)7-11(12)15(22)17-16-13(19)5-6-14(20)21/h1-4,7-8,18H,5-6H2,(H,16,19)(H,17,22)(H,20,21)/p-1
InChIKeyFYOGCIAVAUYOCV-UHFFFAOYSA-M
MW301.28 g/mol
LogP-0.16
Rot. Bonds4

About 4-[2-(3-hydroxynaphthalene-2-carbonyl)hydrazinyl]-4-oxobutanoate

4-[2-(3-hydroxynaphthalene-2-carbonyl)hydrazinyl]-4-oxobutanoate (PubChem CID 7034789) has the molecular formula C15H13N2O5- and a molecular weight of 301.28 g/mol. Its IUPAC name is 4-[2-(3-hydroxynaphthalene-2-carbonyl)hydrazinyl]-4-oxobutanoate.

Molecular Properties

Compound Name4-[2-(3-hydroxynaphthalene-2-carbonyl)hydrazinyl]-4-oxobutanoate
PubChem CID7034789
Molecular FormulaC15H13N2O5-
Molecular Weight301.28 g/mol
Exact Mass301.08
IUPAC Name4-[2-(3-hydroxynaphthalene-2-carbonyl)hydrazinyl]-4-oxobutanoate
SMILESO=C([O-])CCC(=O)NNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C15H14N2O5/c18-12-8-10-4-2-1-3-9(10)7-11(12)15(22)17-16-13(19)5-6-14(20)21/h1-4,7-8,18H,5-6H2,(H,16,19)(H,17,22)(H,20,21)/p-1
InChIKeyFYOGCIAVAUYOCV-UHFFFAOYSA-M
XLogP-0.16
TPSA118.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-fluorophenyl)acetyl]-3-hydroxynaphthalene-2-carbohydrazide
CID 31725615
2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid
CID 969323
4-(2-benzoylhydrazinyl)-4-oxobutanoate
CID 2165242
3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]naphthalene-2-carbohydrazide
CID 27567090
3-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide
CID 806093
4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobutanoate
CID 7948453
N'-butyl-3-hydroxynaphthalene-2-carbohydrazide
CID 118418396
3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide
CID 3119117
3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid
CID 160733684
4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoate
CID 7027212
1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-prop-2-enylthiourea
CID 3964823
1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea
CID 24819542

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxynaphthalene-2-carbonyl)hydrazinyl]-4-oxobutanoate?
The IUPAC name of 4-[2-(3-hydroxynaphthalene-2-carbonyl)hydrazinyl]-4-oxobutanoate (CID 7034789) is 4-[2-(3-hydroxynaphthalene-2-carbonyl)hydrazinyl]-4-oxobutanoate.
What is the SMILES notation for 4-[2-(3-hydroxynaphthalene-2-carbonyl)hydrazinyl]-4-oxobutanoate?
The canonical SMILES for 4-[2-(3-hydroxynaphthalene-2-carbonyl)hydrazinyl]-4-oxobutanoate is O=C([O-])CCC(=O)NNC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of 4-[2-(3-hydroxynaphthalene-2-carbonyl)hydrazinyl]-4-oxobutanoate?
The InChIKey is FYOGCIAVAUYOCV-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14N2O5/c18-12-8-10-4-2-1-3-9(10)7-11(12)15(22)17-16-13(19)5-6-14(20)21/h1-4,7-8,18H,5-6H2,(H,16,19)(H,17,22)(H,20,21)/p-1.
What are the key properties of 4-[2-(3-hydroxynaphthalene-2-carbonyl)hydrazinyl]-4-oxobutanoate?
4-[2-(3-hydroxynaphthalene-2-carbonyl)hydrazinyl]-4-oxobutanoate has a molecular weight of 301.28 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxynaphthalene-2-carbonyl)hydrazinyl]-4-oxobutanoate is sourced from PubChem (CID 7034789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).