(NE)-N-[1-[3-[(E)-2-methoxyethenyl]-1-(methoxymethyl)indol-2-yl]ethylidene]hydroxylamine

C15H18N2O3 — CID 135087111

IUPAC(NE)-N-[1-[3-[(E)-2-methoxyethenyl]-1-(methoxymethyl)indol-2-yl]ethylidene]hydroxylamine
SMILESCO/C=C/c1c(/C(C)=N/O)n(COC)c2ccccc12
InChIInChI=1S/C15H18N2O3/c1-11(16-18)15-13(8-9-19-2)12-6-4-5-7-14(12)17(15)10-20-3/h4-9,18H,10H2,1-3H3/b9-8+,16-11+
InChIKeyLGGVFMKSHSLIRH-CEKJNPHKSA-N
MW274.32 g/mol
LogP3.06
Rot. Bonds5

About (NE)-N-[1-[3-[(E)-2-methoxyethenyl]-1-(methoxymethyl)indol-2-yl]ethylidene]hydroxylamine

(NE)-N-[1-[3-[(E)-2-methoxyethenyl]-1-(methoxymethyl)indol-2-yl]ethylidene]hydroxylamine (PubChem CID 135087111) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (NE)-N-[1-[3-[(E)-2-methoxyethenyl]-1-(methoxymethyl)indol-2-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[3-[(E)-2-methoxyethenyl]-1-(methoxymethyl)indol-2-yl]ethylidene]hydroxylamine
PubChem CID135087111
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(NE)-N-[1-[3-[(E)-2-methoxyethenyl]-1-(methoxymethyl)indol-2-yl]ethylidene]hydroxylamine
SMILESCO/C=C/c1c(/C(C)=N/O)n(COC)c2ccccc12
InChIInChI=1S/C15H18N2O3/c1-11(16-18)15-13(8-9-19-2)12-6-4-5-7-14(12)17(15)10-20-3/h4-9,18H,10H2,1-3H3/b9-8+,16-11+
InChIKeyLGGVFMKSHSLIRH-CEKJNPHKSA-N
XLogP3.06
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (NE)-N-[1-[3-[(E)-2-methoxyethenyl]-1-(methoxymethyl)indol-2-yl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[3-[(E)-2-methoxyethenyl]-1-(methoxymethyl)indol-2-yl]ethylidene]hydroxylamine (CID 135087111) is (NE)-N-[1-[3-[(E)-2-methoxyethenyl]-1-(methoxymethyl)indol-2-yl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[3-[(E)-2-methoxyethenyl]-1-(methoxymethyl)indol-2-yl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[3-[(E)-2-methoxyethenyl]-1-(methoxymethyl)indol-2-yl]ethylidene]hydroxylamine is CO/C=C/c1c(/C(C)=N/O)n(COC)c2ccccc12.
What is the InChIKey of (NE)-N-[1-[3-[(E)-2-methoxyethenyl]-1-(methoxymethyl)indol-2-yl]ethylidene]hydroxylamine?
The InChIKey is LGGVFMKSHSLIRH-CEKJNPHKSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11(16-18)15-13(8-9-19-2)12-6-4-5-7-14(12)17(15)10-20-3/h4-9,18H,10H2,1-3H3/b9-8+,16-11+.
What are the key properties of (NE)-N-[1-[3-[(E)-2-methoxyethenyl]-1-(methoxymethyl)indol-2-yl]ethylidene]hydroxylamine?
(NE)-N-[1-[3-[(E)-2-methoxyethenyl]-1-(methoxymethyl)indol-2-yl]ethylidene]hydroxylamine has a molecular weight of 274.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[3-[(E)-2-methoxyethenyl]-1-(methoxymethyl)indol-2-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 135087111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).