N-[(3-chloro-1H-indol-7-yl)methyl]hydroxylamine

C9H9ClN2O — CID 117286523

IUPACN-[(3-chloro-1H-indol-7-yl)methyl]hydroxylamine
SMILESONCc1cccc2c(Cl)c[nH]c12
InChIInChI=1S/C9H9ClN2O/c10-8-5-11-9-6(4-12-13)2-1-3-7(8)9/h1-3,5,11-13H,4H2
InChIKeyJLRWGJZZAZFDQV-UHFFFAOYSA-N
MW196.64 g/mol
LogP2.30
Rot. Bonds2

About N-[(3-chloro-1H-indol-7-yl)methyl]hydroxylamine

N-[(3-chloro-1H-indol-7-yl)methyl]hydroxylamine (PubChem CID 117286523) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is N-[(3-chloro-1H-indol-7-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(3-chloro-1H-indol-7-yl)methyl]hydroxylamine
PubChem CID117286523
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC NameN-[(3-chloro-1H-indol-7-yl)methyl]hydroxylamine
SMILESONCc1cccc2c(Cl)c[nH]c12
InChIInChI=1S/C9H9ClN2O/c10-8-5-11-9-6(4-12-13)2-1-3-7(8)9/h1-3,5,11-13H,4H2
InChIKeyJLRWGJZZAZFDQV-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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Related Compounds

(3-chloro-1H-indol-7-yl)methanol
CID 84658243
3-chloro-7-[2-[4-(sulfinatoamino)phenyl]ethyl]-1H-indole
CID 58459669
2-(3-chloro-1H-indol-7-yl)propan-1-amine
CID 117298104
2-[(hydroxyamino)methyl]-6-(hydroxymethyl)phenol
CID 117276695
1-(3-bromo-1H-indol-7-yl)-N-methoxymethanamine
CID 117390328
1-(3-chloro-1H-indol-7-yl)-3-cyanothiourea
CID 25158428
[3-(methylaminomethyl)-1H-indol-7-yl]methanamine
CID 117181665
2-(7-chloro-1H-indol-3-yl)acetamide
CID 10703607
N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine
CID 117280945
N-(3-chloro-1H-indol-7-yl)benzenesulfinamide
CID 156886329
[1-(3-chloro-1H-indol-7-yl)cyclohexyl]methanamine
CID 117411533
sodium N'-(3-chloro-1H-indol-7-yl)-N-cyanocarbamimidothioate
CID 25158427

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-1H-indol-7-yl)methyl]hydroxylamine?
The IUPAC name of N-[(3-chloro-1H-indol-7-yl)methyl]hydroxylamine (CID 117286523) is N-[(3-chloro-1H-indol-7-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(3-chloro-1H-indol-7-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(3-chloro-1H-indol-7-yl)methyl]hydroxylamine is ONCc1cccc2c(Cl)c[nH]c12.
What is the InChIKey of N-[(3-chloro-1H-indol-7-yl)methyl]hydroxylamine?
The InChIKey is JLRWGJZZAZFDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c10-8-5-11-9-6(4-12-13)2-1-3-7(8)9/h1-3,5,11-13H,4H2.
What are the key properties of N-[(3-chloro-1H-indol-7-yl)methyl]hydroxylamine?
N-[(3-chloro-1H-indol-7-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-[(3-chloro-1H-indol-7-yl)methyl]hydroxylamine is sourced from PubChem (CID 117286523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).