N-[(5-methyl-1H-indol-2-yl)methylidene]hydroxylamine

C10H10N2O — CID 137199836

IUPACN-[(5-methyl-1H-indol-2-yl)methylidene]hydroxylamine
SMILESCc1ccc2[nH]c(C=NO)cc2c1
InChIInChI=1S/C10H10N2O/c1-7-2-3-10-8(4-7)5-9(12-10)6-11-13/h2-6,12-13H,1H3
InChIKeyUHQDNDCMSGEJMR-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.28
Rot. Bonds1

About N-[(5-methyl-1H-indol-2-yl)methylidene]hydroxylamine

N-[(5-methyl-1H-indol-2-yl)methylidene]hydroxylamine (PubChem CID 137199836) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is N-[(5-methyl-1H-indol-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-indol-2-yl)methylidene]hydroxylamine
PubChem CID137199836
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC NameN-[(5-methyl-1H-indol-2-yl)methylidene]hydroxylamine
SMILESCc1ccc2[nH]c(C=NO)cc2c1
InChIInChI=1S/C10H10N2O/c1-7-2-3-10-8(4-7)5-9(12-10)6-11-13/h2-6,12-13H,1H3
InChIKeyUHQDNDCMSGEJMR-UHFFFAOYSA-N
XLogP2.28
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(5-bromo-1H-indol-2-yl)methylidene]hydroxylamine
CID 136963509
N-[(5-bromo-1H-indol-2-yl)methylidene]hydroxylamine
CID 137199838
(Z)-3-(5-methyl-1H-indol-2-yl)prop-2-enamide
CID 170878076
N-[(6-bromo-1H-indol-2-yl)methylidene]hydroxylamine
CID 171488099
2-methanidyl-5-methyl-1H-indole;yttrium
CID 59004658
N-[(5-methyl-1H-pyrrol-2-yl)methylidene]hydroxylamine
CID 137221296
2-(5-methyl-1H-indol-2-yl)ethanol
CID 83674310
2,5-dimethyl-1H-indole;ethane;propane
CID 144992538
N,5-dimethyl-1H-indol-2-amine;dihydrochloride
CID 57435942
5-methyl-2-(trifluoromethyl)-1H-indole
CID 83485208
[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]urea
CID 141311097
3-[(2,5-dimethylphenyl)iminomethyl]-6-methyl-1H-quinolin-2-one
CID 936422

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-indol-2-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(5-methyl-1H-indol-2-yl)methylidene]hydroxylamine (CID 137199836) is N-[(5-methyl-1H-indol-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(5-methyl-1H-indol-2-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(5-methyl-1H-indol-2-yl)methylidene]hydroxylamine is Cc1ccc2[nH]c(C=NO)cc2c1.
What is the InChIKey of N-[(5-methyl-1H-indol-2-yl)methylidene]hydroxylamine?
The InChIKey is UHQDNDCMSGEJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-2-3-10-8(4-7)5-9(12-10)6-11-13/h2-6,12-13H,1H3.
What are the key properties of N-[(5-methyl-1H-indol-2-yl)methylidene]hydroxylamine?
N-[(5-methyl-1H-indol-2-yl)methylidene]hydroxylamine has a molecular weight of 174.20 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-indol-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 137199836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).