hydrazinyl 3-(4,6-dimethyl-2,3-dioxoindol-1-yl)propanoate

C13H15N3O4 — CID 66338800

IUPAChydrazinyl 3-(4,6-dimethyl-2,3-dioxoindol-1-yl)propanoate
SMILESCc1cc(C)c2c(c1)N(CCC(=O)ONN)C(=O)C2=O
InChIInChI=1S/C13H15N3O4/c1-7-5-8(2)11-9(6-7)16(13(19)12(11)18)4-3-10(17)20-15-14/h5-6,15H,3-4,14H2,1-2H3
InChIKeyMMJZYNORIVXPBO-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.14
Rot. Bonds4

About hydrazinyl 3-(4,6-dimethyl-2,3-dioxoindol-1-yl)propanoate

hydrazinyl 3-(4,6-dimethyl-2,3-dioxoindol-1-yl)propanoate (PubChem CID 66338800) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is hydrazinyl 3-(4,6-dimethyl-2,3-dioxoindol-1-yl)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(4,6-dimethyl-2,3-dioxoindol-1-yl)propanoate
PubChem CID66338800
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Namehydrazinyl 3-(4,6-dimethyl-2,3-dioxoindol-1-yl)propanoate
SMILESCc1cc(C)c2c(c1)N(CCC(=O)ONN)C(=O)C2=O
InChIInChI=1S/C13H15N3O4/c1-7-5-8(2)11-9(6-7)16(13(19)12(11)18)4-3-10(17)20-15-14/h5-6,15H,3-4,14H2,1-2H3
InChIKeyMMJZYNORIVXPBO-UHFFFAOYSA-N
XLogP0.14
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 hydrazinyl 3-(4,6-dimethyl-2,3-dioxoindol-1-yl)propanoate?
The IUPAC name of hydrazinyl 3-(4,6-dimethyl-2,3-dioxoindol-1-yl)propanoate (CID 66338800) is hydrazinyl 3-(4,6-dimethyl-2,3-dioxoindol-1-yl)propanoate.
What is the SMILES notation for hydrazinyl 3-(4,6-dimethyl-2,3-dioxoindol-1-yl)propanoate?
The canonical SMILES for hydrazinyl 3-(4,6-dimethyl-2,3-dioxoindol-1-yl)propanoate is Cc1cc(C)c2c(c1)N(CCC(=O)ONN)C(=O)C2=O.
What is the InChIKey of hydrazinyl 3-(4,6-dimethyl-2,3-dioxoindol-1-yl)propanoate?
The InChIKey is MMJZYNORIVXPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-7-5-8(2)11-9(6-7)16(13(19)12(11)18)4-3-10(17)20-15-14/h5-6,15H,3-4,14H2,1-2H3.
What are the key properties of hydrazinyl 3-(4,6-dimethyl-2,3-dioxoindol-1-yl)propanoate?
hydrazinyl 3-(4,6-dimethyl-2,3-dioxoindol-1-yl)propanoate has a molecular weight of 277.28 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(4,6-dimethyl-2,3-dioxoindol-1-yl)propanoate is sourced from PubChem (CID 66338800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).