N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]heptanamide

C15H18N4O4 — CID 3625305

IUPACN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]heptanamide
SMILESCCCCCCC(=O)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H18N4O4/c1-2-3-4-5-6-13(20)17-18-14-11-9-10(19(22)23)7-8-12(11)16-15(14)21/h7-9,16,21H,2-6H2,1H3/b18-17+
InChIKeyFIZUMWMGEOMWJC-ISLYRVAYSA-N
MW318.33 g/mol
LogP4.36
Rot. Bonds7

About N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]heptanamide

N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]heptanamide (PubChem CID 3625305) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]heptanamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]heptanamide
PubChem CID3625305
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC NameN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]heptanamide
SMILESCCCCCCC(=O)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H18N4O4/c1-2-3-4-5-6-13(20)17-18-14-11-9-10(19(22)23)7-8-12(11)16-15(14)21/h7-9,16,21H,2-6H2,1H3/b18-17+
InChIKeyFIZUMWMGEOMWJC-ISLYRVAYSA-N
XLogP4.36
TPSA120.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]heptanamide?
The IUPAC name of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]heptanamide (CID 3625305) is N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]heptanamide.
What is the SMILES notation for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]heptanamide?
The canonical SMILES for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]heptanamide is CCCCCCC(=O)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]heptanamide?
The InChIKey is FIZUMWMGEOMWJC-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-2-3-4-5-6-13(20)17-18-14-11-9-10(19(22)23)7-8-12(11)16-15(14)21/h7-9,16,21H,2-6H2,1H3/b18-17+.
What are the key properties of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]heptanamide?
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]heptanamide has a molecular weight of 318.33 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]heptanamide is sourced from PubChem (CID 3625305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).