O-[(1-ethyl-3-methylindol-4-yl)methyl]hydroxylamine

C12H16N2O — CID 117204415

IUPACO-[(1-ethyl-3-methylindol-4-yl)methyl]hydroxylamine
SMILESCCn1cc(C)c2c(CON)cccc21
InChIInChI=1S/C12H16N2O/c1-3-14-7-9(2)12-10(8-15-13)5-4-6-11(12)14/h4-7H,3,8,13H2,1-2H3
InChIKeyFEFKYLSPFFCDSM-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.36
Rot. Bonds3

About O-[(1-ethyl-3-methylindol-4-yl)methyl]hydroxylamine

O-[(1-ethyl-3-methylindol-4-yl)methyl]hydroxylamine (PubChem CID 117204415) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is O-[(1-ethyl-3-methylindol-4-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(1-ethyl-3-methylindol-4-yl)methyl]hydroxylamine
PubChem CID117204415
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameO-[(1-ethyl-3-methylindol-4-yl)methyl]hydroxylamine
SMILESCCn1cc(C)c2c(CON)cccc21
InChIInChI=1S/C12H16N2O/c1-3-14-7-9(2)12-10(8-15-13)5-4-6-11(12)14/h4-7H,3,8,13H2,1-2H3
InChIKeyFEFKYLSPFFCDSM-UHFFFAOYSA-N
XLogP2.36
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
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 O-[(1-ethyl-3-methylindol-4-yl)methyl]hydroxylamine?
The IUPAC name of O-[(1-ethyl-3-methylindol-4-yl)methyl]hydroxylamine (CID 117204415) is O-[(1-ethyl-3-methylindol-4-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(1-ethyl-3-methylindol-4-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(1-ethyl-3-methylindol-4-yl)methyl]hydroxylamine is CCn1cc(C)c2c(CON)cccc21.
What is the InChIKey of O-[(1-ethyl-3-methylindol-4-yl)methyl]hydroxylamine?
The InChIKey is FEFKYLSPFFCDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-14-7-9(2)12-10(8-15-13)5-4-6-11(12)14/h4-7H,3,8,13H2,1-2H3.
What are the key properties of O-[(1-ethyl-3-methylindol-4-yl)methyl]hydroxylamine?
O-[(1-ethyl-3-methylindol-4-yl)methyl]hydroxylamine has a molecular weight of 204.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(1-ethyl-3-methylindol-4-yl)methyl]hydroxylamine is sourced from PubChem (CID 117204415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).