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

C11H10ClN3O4 — CID 66338426

IUPAChydrazinyl 3-(4-chloro-2,3-dioxoindol-1-yl)propanoate
SMILESNNOC(=O)CCN1C(=O)C(=O)c2c(Cl)cccc21
InChIInChI=1S/C11H10ClN3O4/c12-6-2-1-3-7-9(6)10(17)11(18)15(7)5-4-8(16)19-14-13/h1-3,14H,4-5,13H2
InChIKeyOPCIRTTXYKCVSP-UHFFFAOYSA-N
MW283.67 g/mol
LogP0.18
Rot. Bonds4

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

hydrazinyl 3-(4-chloro-2,3-dioxoindol-1-yl)propanoate (PubChem CID 66338426) has the molecular formula C11H10ClN3O4 and a molecular weight of 283.67 g/mol. Its IUPAC name is hydrazinyl 3-(4-chloro-2,3-dioxoindol-1-yl)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(4-chloro-2,3-dioxoindol-1-yl)propanoate
PubChem CID66338426
Molecular FormulaC11H10ClN3O4
Molecular Weight283.67 g/mol
Exact Mass283.04
IUPAC Namehydrazinyl 3-(4-chloro-2,3-dioxoindol-1-yl)propanoate
SMILESNNOC(=O)CCN1C(=O)C(=O)c2c(Cl)cccc21
InChIInChI=1S/C11H10ClN3O4/c12-6-2-1-3-7-9(6)10(17)11(18)15(7)5-4-8(16)19-14-13/h1-3,14H,4-5,13H2
InChIKeyOPCIRTTXYKCVSP-UHFFFAOYSA-N
XLogP0.18
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 50.18
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-chloro-2,3-dioxoindol-1-yl)propanoate?
The IUPAC name of hydrazinyl 3-(4-chloro-2,3-dioxoindol-1-yl)propanoate (CID 66338426) is hydrazinyl 3-(4-chloro-2,3-dioxoindol-1-yl)propanoate.
What is the SMILES notation for hydrazinyl 3-(4-chloro-2,3-dioxoindol-1-yl)propanoate?
The canonical SMILES for hydrazinyl 3-(4-chloro-2,3-dioxoindol-1-yl)propanoate is NNOC(=O)CCN1C(=O)C(=O)c2c(Cl)cccc21.
What is the InChIKey of hydrazinyl 3-(4-chloro-2,3-dioxoindol-1-yl)propanoate?
The InChIKey is OPCIRTTXYKCVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O4/c12-6-2-1-3-7-9(6)10(17)11(18)15(7)5-4-8(16)19-14-13/h1-3,14H,4-5,13H2.
What are the key properties of hydrazinyl 3-(4-chloro-2,3-dioxoindol-1-yl)propanoate?
hydrazinyl 3-(4-chloro-2,3-dioxoindol-1-yl)propanoate has a molecular weight of 283.67 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(4-chloro-2,3-dioxoindol-1-yl)propanoate is sourced from PubChem (CID 66338426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).