N-[(7-bromo-1-methylindol-2-yl)methyl]hydroxylamine

C10H11BrN2O — CID 82665313

IUPACN-[(7-bromo-1-methylindol-2-yl)methyl]hydroxylamine
SMILESCn1c(CNO)cc2cccc(Br)c21
InChIInChI=1S/C10H11BrN2O/c1-13-8(6-12-14)5-7-3-2-4-9(11)10(7)13/h2-5,12,14H,6H2,1H3
InChIKeyHKHIDUMFFUSDEM-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.42
Rot. Bonds2

About N-[(7-bromo-1-methylindol-2-yl)methyl]hydroxylamine

N-[(7-bromo-1-methylindol-2-yl)methyl]hydroxylamine (PubChem CID 82665313) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is N-[(7-bromo-1-methylindol-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(7-bromo-1-methylindol-2-yl)methyl]hydroxylamine
PubChem CID82665313
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC NameN-[(7-bromo-1-methylindol-2-yl)methyl]hydroxylamine
SMILESCn1c(CNO)cc2cccc(Br)c21
InChIInChI=1S/C10H11BrN2O/c1-13-8(6-12-14)5-7-3-2-4-9(11)10(7)13/h2-5,12,14H,6H2,1H3
InChIKeyHKHIDUMFFUSDEM-UHFFFAOYSA-N
XLogP2.42
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(7-bromo-1-methylindol-2-yl)-2-methylpropanoic acid
CID 117196879
N-[(1,7-dimethylindol-2-yl)methyl]ethanamine
CID 117186537
2-amino-1-(7-bromo-1-methylindol-2-yl)ethanone
CID 82379701
3-(8-bromo-1-methyl-2-oxoquinolin-3-yl)-2,2-dimethylpropanoic acid
CID 84646654
7-bromo-N-cyclobutyl-1-methylindole-2-carboxamide
CID 171662965
2-(7-ethyl-1-methylindol-2-yl)acetic acid
CID 83859943
(7-chloro-1-methylindol-2-yl)methanethiol
CID 117183833
3-(7-bromo-1-ethylindol-2-yl)propan-1-amine
CID 117196972
7-bromo-2-(ethoxymethyl)-1-propan-2-ylindole
CID 117184323
6-(7-bromo-1-methylindol-2-yl)pyridin-3-amine
CID 115110384
2-ethyl-7-methoxy-1-methylindole
CID 84662166
N-[(3-bromo-2-ethylphenyl)methyl]hydroxylamine
CID 143634840

Frequently Asked Questions

What is the IUPAC name of N-[(7-bromo-1-methylindol-2-yl)methyl]hydroxylamine?
The IUPAC name of N-[(7-bromo-1-methylindol-2-yl)methyl]hydroxylamine (CID 82665313) is N-[(7-bromo-1-methylindol-2-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(7-bromo-1-methylindol-2-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(7-bromo-1-methylindol-2-yl)methyl]hydroxylamine is Cn1c(CNO)cc2cccc(Br)c21.
What is the InChIKey of N-[(7-bromo-1-methylindol-2-yl)methyl]hydroxylamine?
The InChIKey is HKHIDUMFFUSDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-13-8(6-12-14)5-7-3-2-4-9(11)10(7)13/h2-5,12,14H,6H2,1H3.
What are the key properties of N-[(7-bromo-1-methylindol-2-yl)methyl]hydroxylamine?
N-[(7-bromo-1-methylindol-2-yl)methyl]hydroxylamine has a molecular weight of 255.11 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-bromo-1-methylindol-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 82665313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).