4-(6,7-dimethyl-2,3-dioxoindol-1-yl)butanehydrazide

C14H17N3O3 — CID 63580211

IUPAC4-(6,7-dimethyl-2,3-dioxoindol-1-yl)butanehydrazide
SMILESCc1ccc2c(c1C)N(CCCC(=O)NN)C(=O)C2=O
InChIInChI=1S/C14H17N3O3/c1-8-5-6-10-12(9(8)2)17(14(20)13(10)19)7-3-4-11(18)16-15/h5-6H,3-4,7,15H2,1-2H3,(H,16,18)
InChIKeyVMHYUQUGCXQEOV-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.60
Rot. Bonds4

About 4-(6,7-dimethyl-2,3-dioxoindol-1-yl)butanehydrazide

4-(6,7-dimethyl-2,3-dioxoindol-1-yl)butanehydrazide (PubChem CID 63580211) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-(6,7-dimethyl-2,3-dioxoindol-1-yl)butanehydrazide.

Molecular Properties

Compound Name4-(6,7-dimethyl-2,3-dioxoindol-1-yl)butanehydrazide
PubChem CID63580211
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-(6,7-dimethyl-2,3-dioxoindol-1-yl)butanehydrazide
SMILESCc1ccc2c(c1C)N(CCCC(=O)NN)C(=O)C2=O
InChIInChI=1S/C14H17N3O3/c1-8-5-6-10-12(9(8)2)17(14(20)13(10)19)7-3-4-11(18)16-15/h5-6H,3-4,7,15H2,1-2H3,(H,16,18)
InChIKeyVMHYUQUGCXQEOV-UHFFFAOYSA-N
XLogP0.60
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 4-(6,7-dimethyl-2,3-dioxoindol-1-yl)butanehydrazide?
The IUPAC name of 4-(6,7-dimethyl-2,3-dioxoindol-1-yl)butanehydrazide (CID 63580211) is 4-(6,7-dimethyl-2,3-dioxoindol-1-yl)butanehydrazide.
What is the SMILES notation for 4-(6,7-dimethyl-2,3-dioxoindol-1-yl)butanehydrazide?
The canonical SMILES for 4-(6,7-dimethyl-2,3-dioxoindol-1-yl)butanehydrazide is Cc1ccc2c(c1C)N(CCCC(=O)NN)C(=O)C2=O.
What is the InChIKey of 4-(6,7-dimethyl-2,3-dioxoindol-1-yl)butanehydrazide?
The InChIKey is VMHYUQUGCXQEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8-5-6-10-12(9(8)2)17(14(20)13(10)19)7-3-4-11(18)16-15/h5-6H,3-4,7,15H2,1-2H3,(H,16,18).
What are the key properties of 4-(6,7-dimethyl-2,3-dioxoindol-1-yl)butanehydrazide?
4-(6,7-dimethyl-2,3-dioxoindol-1-yl)butanehydrazide has a molecular weight of 275.31 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethyl-2,3-dioxoindol-1-yl)butanehydrazide is sourced from PubChem (CID 63580211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).