5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carbohydrazide

C14H11N3O4 — CID 63572812

IUPAC5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)o1
InChIInChI=1S/C14H11N3O4/c15-16-12(18)11-6-5-8(21-11)7-17-13(19)9-3-1-2-4-10(9)14(17)20/h1-6H,7,15H2,(H,16,18)
InChIKeyRBMAHTWDLHNLSN-UHFFFAOYSA-N
MW285.26 g/mol
LogP0.68
Rot. Bonds3

About 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carbohydrazide

5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carbohydrazide (PubChem CID 63572812) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carbohydrazide
PubChem CID63572812
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)o1
InChIInChI=1S/C14H11N3O4/c15-16-12(18)11-6-5-8(21-11)7-17-13(19)9-3-1-2-4-10(9)14(17)20/h1-6H,7,15H2,(H,16,18)
InChIKeyRBMAHTWDLHNLSN-UHFFFAOYSA-N
XLogP0.68
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 50.68
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(3-aminopropyl)furan-2-yl]methyl]isoindole-1,3-dione
CID 170878360
3-amino-3-[5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-yl]propanoic acid
CID 170872488
5-[(1-oxophthalazin-2-yl)methyl]furan-2-carbohydrazide
CID 63571683
(E)-3-[5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-yl]-2-methylprop-2-enoic acid
CID 170873066
5-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]furan-2-carbohydrazide
CID 63578797
5-(indazol-1-ylmethyl)furan-2-carbohydrazide
CID 63578154
5-[(3-methylindol-1-yl)methyl]furan-2-carbohydrazide
CID 63577239
5-[(2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide
CID 63578720
5-[(3-chloroindol-1-yl)methyl]furan-2-carbohydrazide
CID 63578349
5-[(2-oxoazocan-1-yl)methyl]furan-2-carbohydrazide
CID 55214250
5-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide
CID 55213097
5-[(3-oxomorpholin-4-yl)methyl]furan-2-carbohydrazide
CID 79468557

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carbohydrazide (CID 63572812) is 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carbohydrazide is NNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)o1.
What is the InChIKey of 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carbohydrazide?
The InChIKey is RBMAHTWDLHNLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c15-16-12(18)11-6-5-8(21-11)7-17-13(19)9-3-1-2-4-10(9)14(17)20/h1-6H,7,15H2,(H,16,18).
What are the key properties of 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carbohydrazide?
5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carbohydrazide has a molecular weight of 285.26 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63572812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).