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

C10H12N2O — CID 82653727

IUPACN-[(1-methylindol-2-yl)methyl]hydroxylamine
SMILESCn1c(CNO)cc2ccccc21
InChIInChI=1S/C10H12N2O/c1-12-9(7-11-13)6-8-4-2-3-5-10(8)12/h2-6,11,13H,7H2,1H3
InChIKeyGLBWFKQVPDPHQW-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.66
Rot. Bonds2

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

N-[(1-methylindol-2-yl)methyl]hydroxylamine (PubChem CID 82653727) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-[(1-methylindol-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(1-methylindol-2-yl)methyl]hydroxylamine
PubChem CID82653727
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-[(1-methylindol-2-yl)methyl]hydroxylamine
SMILESCn1c(CNO)cc2ccccc21
InChIInChI=1S/C10H12N2O/c1-12-9(7-11-13)6-8-4-2-3-5-10(8)12/h2-6,11,13H,7H2,1H3
InChIKeyGLBWFKQVPDPHQW-UHFFFAOYSA-N
XLogP1.66
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.66
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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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-2-yl)methyl]hydroxylamine?
The IUPAC name of N-[(1-methylindol-2-yl)methyl]hydroxylamine (CID 82653727) is N-[(1-methylindol-2-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(1-methylindol-2-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(1-methylindol-2-yl)methyl]hydroxylamine is Cn1c(CNO)cc2ccccc21.
What is the InChIKey of N-[(1-methylindol-2-yl)methyl]hydroxylamine?
The InChIKey is GLBWFKQVPDPHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-12-9(7-11-13)6-8-4-2-3-5-10(8)12/h2-6,11,13H,7H2,1H3.
What are the key properties of N-[(1-methylindol-2-yl)methyl]hydroxylamine?
N-[(1-methylindol-2-yl)methyl]hydroxylamine has a molecular weight of 176.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 82653727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).