N-[(2-hydroxy-1H-indol-3-yl)imino]-2-pyrrolidin-1-ylacetamide

C14H16N4O2 — CID 3070816

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C14H16N4O2/c19-12(9-18-7-3-4-8-18)16-17-13-10-5-1-2-6-11(10)15-14(13)20/h1-2,5-6,15,20H,3-4,7-9H2/b17-16+
InChIKeyHMPHXJPFEGJQES-WUKNDPDISA-N
MW272.31 g/mol
LogP2.58
Rot. Bonds3

About N-[(2-hydroxy-1H-indol-3-yl)imino]-2-pyrrolidin-1-ylacetamide

N-[(2-hydroxy-1H-indol-3-yl)imino]-2-pyrrolidin-1-ylacetamide (PubChem CID 3070816) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-pyrrolidin-1-ylacetamide
PubChem CID3070816
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C14H16N4O2/c19-12(9-18-7-3-4-8-18)16-17-13-10-5-1-2-6-11(10)15-14(13)20/h1-2,5-6,15,20H,3-4,7-9H2/b17-16+
InChIKeyHMPHXJPFEGJQES-WUKNDPDISA-N
XLogP2.58
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
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 N-[(2-hydroxy-1H-indol-3-yl)imino]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-pyrrolidin-1-ylacetamide (CID 3070816) is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-pyrrolidin-1-ylacetamide?
The InChIKey is HMPHXJPFEGJQES-WUKNDPDISA-N. The full InChI is InChI=1S/C14H16N4O2/c19-12(9-18-7-3-4-8-18)16-17-13-10-5-1-2-6-11(10)15-14(13)20/h1-2,5-6,15,20H,3-4,7-9H2/b17-16+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-pyrrolidin-1-ylacetamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-pyrrolidin-1-ylacetamide has a molecular weight of 272.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 3070816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).