O-[(6-chloro-1H-indol-3-yl)methyl]hydroxylamine

C9H9ClN2O — CID 117196286

IUPACO-[(6-chloro-1H-indol-3-yl)methyl]hydroxylamine
SMILESNOCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C9H9ClN2O/c10-7-1-2-8-6(5-13-11)4-12-9(8)3-7/h1-4,12H,5,11H2
InChIKeyJACQQAWTGCOJNS-UHFFFAOYSA-N
MW196.64 g/mol
LogP2.21
Rot. Bonds2

About O-[(6-chloro-1H-indol-3-yl)methyl]hydroxylamine

O-[(6-chloro-1H-indol-3-yl)methyl]hydroxylamine (PubChem CID 117196286) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is O-[(6-chloro-1H-indol-3-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(6-chloro-1H-indol-3-yl)methyl]hydroxylamine
PubChem CID117196286
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC NameO-[(6-chloro-1H-indol-3-yl)methyl]hydroxylamine
SMILESNOCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C9H9ClN2O/c10-7-1-2-8-6(5-13-11)4-12-9(8)3-7/h1-4,12H,5,11H2
InChIKeyJACQQAWTGCOJNS-UHFFFAOYSA-N
XLogP2.21
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-(ethoxymethyl)-1H-indole
CID 117178595
3-(bromomethyl)-6-chloro-1H-indole
CID 131288743
6-chloro-3-(isocyanomethyl)-1H-indole
CID 83483881
6-chloro-3-(2,2-dimethylpropyl)-1H-indole
CID 59153141
3-(6-chloro-1H-indol-3-yl)propanenitrile
CID 82396450
6-chloro-3-(3-methylbut-2-enyl)-1H-indole
CID 11074898
2-(6-chloro-1H-indol-3-yl)ethyl N-methylcarbamate
CID 175327400
2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane
CID 145142461
N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine
CID 106328237
3-(6-chloro-1H-indol-3-yl)-2-iodopropanoic acid
CID 121353891
2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84700341
N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine
CID 102695801

Frequently Asked Questions

What is the IUPAC name of O-[(6-chloro-1H-indol-3-yl)methyl]hydroxylamine?
The IUPAC name of O-[(6-chloro-1H-indol-3-yl)methyl]hydroxylamine (CID 117196286) is O-[(6-chloro-1H-indol-3-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(6-chloro-1H-indol-3-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(6-chloro-1H-indol-3-yl)methyl]hydroxylamine is NOCc1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of O-[(6-chloro-1H-indol-3-yl)methyl]hydroxylamine?
The InChIKey is JACQQAWTGCOJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c10-7-1-2-8-6(5-13-11)4-12-9(8)3-7/h1-4,12H,5,11H2.
What are the key properties of O-[(6-chloro-1H-indol-3-yl)methyl]hydroxylamine?
O-[(6-chloro-1H-indol-3-yl)methyl]hydroxylamine has a molecular weight of 196.64 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(6-chloro-1H-indol-3-yl)methyl]hydroxylamine is sourced from PubChem (CID 117196286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).