4-(5-nitro-2-oxo-3H-indol-1-yl)butanehydrazide

C12H14N4O4 — CID 63577959

IUPAC4-(5-nitro-2-oxo-3H-indol-1-yl)butanehydrazide
SMILESNNC(=O)CCCN1C(=O)Cc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C12H14N4O4/c13-14-11(17)2-1-5-15-10-4-3-9(16(19)20)6-8(10)7-12(15)18/h3-4,6H,1-2,5,7,13H2,(H,14,17)
InChIKeyRUXLFIOTTSEUNQ-UHFFFAOYSA-N
MW278.27 g/mol
LogP0.25
Rot. Bonds5

About 4-(5-nitro-2-oxo-3H-indol-1-yl)butanehydrazide

4-(5-nitro-2-oxo-3H-indol-1-yl)butanehydrazide (PubChem CID 63577959) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 4-(5-nitro-2-oxo-3H-indol-1-yl)butanehydrazide.

Molecular Properties

Compound Name4-(5-nitro-2-oxo-3H-indol-1-yl)butanehydrazide
PubChem CID63577959
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name4-(5-nitro-2-oxo-3H-indol-1-yl)butanehydrazide
SMILESNNC(=O)CCCN1C(=O)Cc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C12H14N4O4/c13-14-11(17)2-1-5-15-10-4-3-9(16(19)20)6-8(10)7-12(15)18/h3-4,6H,1-2,5,7,13H2,(H,14,17)
InChIKeyRUXLFIOTTSEUNQ-UHFFFAOYSA-N
XLogP0.25
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.25
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-hydroxybutyl)-5-nitro-3H-indol-2-one
CID 114983007
2-(5-nitro-2-oxo-3H-indol-1-yl)acetonitrile
CID 165104212
methyl 2-methyl-4-(5-nitro-2-oxo-3H-indol-1-yl)but-2-enoate
CID 77076506
1-(2-morpholin-4-ylethyl)-5-nitro-3H-indol-2-one
CID 169265741
5-amino-1-ethyl-3H-indol-2-one;1-ethyl-5-nitro-3H-indol-2-one
CID 162255854
4-(5-amino-2-oxo-3H-indol-1-yl)-N-methylbutanamide
CID 63892495
1-(4-chlorobut-2-enyl)-5-nitro-3H-indol-2-one
CID 77051367
1-(2-hydroxyethyl)-7-nitro-4,5-dihydro-3H-1-benzazepin-2-one
CID 43509796
1-[3-(2-hydroxyethylamino)propyl]-6-nitro-3,4-dihydroquinolin-2-one
CID 57343560
6-nitro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one
CID 61387942
methyl-[2-(6-nitro-2-oxo-3,4-dihydroquinolin-1-yl)ethyl]carbamic acid
CID 123878031
5-amino-1-(4-oxopentyl)-3H-indol-2-one
CID 115236208

Frequently Asked Questions

What is the IUPAC name of 4-(5-nitro-2-oxo-3H-indol-1-yl)butanehydrazide?
The IUPAC name of 4-(5-nitro-2-oxo-3H-indol-1-yl)butanehydrazide (CID 63577959) is 4-(5-nitro-2-oxo-3H-indol-1-yl)butanehydrazide.
What is the SMILES notation for 4-(5-nitro-2-oxo-3H-indol-1-yl)butanehydrazide?
The canonical SMILES for 4-(5-nitro-2-oxo-3H-indol-1-yl)butanehydrazide is NNC(=O)CCCN1C(=O)Cc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 4-(5-nitro-2-oxo-3H-indol-1-yl)butanehydrazide?
The InChIKey is RUXLFIOTTSEUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c13-14-11(17)2-1-5-15-10-4-3-9(16(19)20)6-8(10)7-12(15)18/h3-4,6H,1-2,5,7,13H2,(H,14,17).
What are the key properties of 4-(5-nitro-2-oxo-3H-indol-1-yl)butanehydrazide?
4-(5-nitro-2-oxo-3H-indol-1-yl)butanehydrazide has a molecular weight of 278.27 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-nitro-2-oxo-3H-indol-1-yl)butanehydrazide is sourced from PubChem (CID 63577959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).