N-[(1-amino-2,3-dihydroindol-5-yl)methylidene]hydroxylamine

C9H11N3O — CID 131866636

IUPACN-[(1-amino-2,3-dihydroindol-5-yl)methylidene]hydroxylamine
SMILESNN1CCc2cc(C=NO)ccc21
InChIInChI=1S/C9H11N3O/c10-12-4-3-8-5-7(6-11-13)1-2-9(8)12/h1-2,5-6,13H,3-4,10H2
InChIKeyOIXIBECNHOYZMM-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.73
Rot. Bonds1

About N-[(1-amino-2,3-dihydroindol-5-yl)methylidene]hydroxylamine

N-[(1-amino-2,3-dihydroindol-5-yl)methylidene]hydroxylamine (PubChem CID 131866636) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is N-[(1-amino-2,3-dihydroindol-5-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(1-amino-2,3-dihydroindol-5-yl)methylidene]hydroxylamine
PubChem CID131866636
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC NameN-[(1-amino-2,3-dihydroindol-5-yl)methylidene]hydroxylamine
SMILESNN1CCc2cc(C=NO)ccc21
InChIInChI=1S/C9H11N3O/c10-12-4-3-8-5-7(6-11-13)1-2-9(8)12/h1-2,5-6,13H,3-4,10H2
InChIKeyOIXIBECNHOYZMM-UHFFFAOYSA-N
XLogP0.73
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-[(1-amino-2,3-dihydroindol-5-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(1-amino-2,3-dihydroindol-5-yl)methylidene]hydroxylamine (CID 131866636) is N-[(1-amino-2,3-dihydroindol-5-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(1-amino-2,3-dihydroindol-5-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(1-amino-2,3-dihydroindol-5-yl)methylidene]hydroxylamine is NN1CCc2cc(C=NO)ccc21.
What is the InChIKey of N-[(1-amino-2,3-dihydroindol-5-yl)methylidene]hydroxylamine?
The InChIKey is OIXIBECNHOYZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c10-12-4-3-8-5-7(6-11-13)1-2-9(8)12/h1-2,5-6,13H,3-4,10H2.
What are the key properties of N-[(1-amino-2,3-dihydroindol-5-yl)methylidene]hydroxylamine?
N-[(1-amino-2,3-dihydroindol-5-yl)methylidene]hydroxylamine has a molecular weight of 177.21 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-amino-2,3-dihydroindol-5-yl)methylidene]hydroxylamine is sourced from PubChem (CID 131866636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).