N-[(5,7-dimethoxy-1H-indol-4-yl)methylidene]hydroxylamine

C11H12N2O3 — CID 154104219

IUPACN-[(5,7-dimethoxy-1H-indol-4-yl)methylidene]hydroxylamine
SMILESCOc1cc(OC)c2[nH]ccc2c1C=NO
InChIInChI=1S/C11H12N2O3/c1-15-9-5-10(16-2)11-7(3-4-12-11)8(9)6-13-14/h3-6,12,14H,1-2H3
InChIKeyFDILOJUELBLMJA-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.99
Rot. Bonds3

About N-[(5,7-dimethoxy-1H-indol-4-yl)methylidene]hydroxylamine

N-[(5,7-dimethoxy-1H-indol-4-yl)methylidene]hydroxylamine (PubChem CID 154104219) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-[(5,7-dimethoxy-1H-indol-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(5,7-dimethoxy-1H-indol-4-yl)methylidene]hydroxylamine
PubChem CID154104219
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC NameN-[(5,7-dimethoxy-1H-indol-4-yl)methylidene]hydroxylamine
SMILESCOc1cc(OC)c2[nH]ccc2c1C=NO
InChIInChI=1S/C11H12N2O3/c1-15-9-5-10(16-2)11-7(3-4-12-11)8(9)6-13-14/h3-6,12,14H,1-2H3
InChIKeyFDILOJUELBLMJA-UHFFFAOYSA-N
XLogP1.99
TPSA66.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethoxy-1H-indol-4-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(5,7-dimethoxy-1H-indol-4-yl)methylidene]hydroxylamine (CID 154104219) is N-[(5,7-dimethoxy-1H-indol-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(5,7-dimethoxy-1H-indol-4-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(5,7-dimethoxy-1H-indol-4-yl)methylidene]hydroxylamine is COc1cc(OC)c2[nH]ccc2c1C=NO.
What is the InChIKey of N-[(5,7-dimethoxy-1H-indol-4-yl)methylidene]hydroxylamine?
The InChIKey is FDILOJUELBLMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-15-9-5-10(16-2)11-7(3-4-12-11)8(9)6-13-14/h3-6,12,14H,1-2H3.
What are the key properties of N-[(5,7-dimethoxy-1H-indol-4-yl)methylidene]hydroxylamine?
N-[(5,7-dimethoxy-1H-indol-4-yl)methylidene]hydroxylamine has a molecular weight of 220.23 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethoxy-1H-indol-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 154104219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).