N-[(4-chloro-1H-indol-2-yl)methyl]hydroxylamine

C9H9ClN2O — CID 82606816

IUPACN-[(4-chloro-1H-indol-2-yl)methyl]hydroxylamine
SMILESONCc1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C9H9ClN2O/c10-8-2-1-3-9-7(8)4-6(12-9)5-11-13/h1-4,11-13H,5H2
InChIKeyJGXRGSUTWQGPPP-UHFFFAOYSA-N
MW196.64 g/mol
LogP2.30
Rot. Bonds2

About N-[(4-chloro-1H-indol-2-yl)methyl]hydroxylamine

N-[(4-chloro-1H-indol-2-yl)methyl]hydroxylamine (PubChem CID 82606816) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is N-[(4-chloro-1H-indol-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(4-chloro-1H-indol-2-yl)methyl]hydroxylamine
PubChem CID82606816
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC NameN-[(4-chloro-1H-indol-2-yl)methyl]hydroxylamine
SMILESONCc1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C9H9ClN2O/c10-8-2-1-3-9-7(8)4-6(12-9)5-11-13/h1-4,11-13H,5H2
InChIKeyJGXRGSUTWQGPPP-UHFFFAOYSA-N
XLogP2.30
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1H-indol-2-yl)methyl]hydroxylamine?
The IUPAC name of N-[(4-chloro-1H-indol-2-yl)methyl]hydroxylamine (CID 82606816) is N-[(4-chloro-1H-indol-2-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(4-chloro-1H-indol-2-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(4-chloro-1H-indol-2-yl)methyl]hydroxylamine is ONCc1cc2c(Cl)cccc2[nH]1.
What is the InChIKey of N-[(4-chloro-1H-indol-2-yl)methyl]hydroxylamine?
The InChIKey is JGXRGSUTWQGPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c10-8-2-1-3-9-7(8)4-6(12-9)5-11-13/h1-4,11-13H,5H2.
What are the key properties of N-[(4-chloro-1H-indol-2-yl)methyl]hydroxylamine?
N-[(4-chloro-1H-indol-2-yl)methyl]hydroxylamine has a molecular weight of 196.64 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1H-indol-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 82606816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).