4-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]pentanamide

C13H15N3O3 — CID 3134459

IUPAC4-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]pentanamide
SMILESCC(O)CCC(=O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C13H15N3O3/c1-8(17)6-7-11(18)15-16-12-9-4-2-3-5-10(9)14-13(12)19/h2-5,8,14,17,19H,6-7H2,1H3/b16-15+
InChIKeyKIAVFQJFHGQNLS-FOCLMDBBSA-N
MW261.28 g/mol
LogP2.64
Rot. Bonds4

About 4-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]pentanamide

4-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]pentanamide (PubChem CID 3134459) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]pentanamide
PubChem CID3134459
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]pentanamide
SMILESCC(O)CCC(=O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C13H15N3O3/c1-8(17)6-7-11(18)15-16-12-9-4-2-3-5-10(9)14-13(12)19/h2-5,8,14,17,19H,6-7H2,1H3/b16-15+
InChIKeyKIAVFQJFHGQNLS-FOCLMDBBSA-N
XLogP2.64
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]pentanamide?
The IUPAC name of 4-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]pentanamide (CID 3134459) is 4-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]pentanamide.
What is the SMILES notation for 4-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]pentanamide?
The canonical SMILES for 4-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]pentanamide is CC(O)CCC(=O)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of 4-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]pentanamide?
The InChIKey is KIAVFQJFHGQNLS-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8(17)6-7-11(18)15-16-12-9-4-2-3-5-10(9)14-13(12)19/h2-5,8,14,17,19H,6-7H2,1H3/b16-15+.
What are the key properties of 4-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]pentanamide?
4-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]pentanamide has a molecular weight of 261.28 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]pentanamide is sourced from PubChem (CID 3134459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).