N-[[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidene]hydroxylamine

C21H22N2O4 — CID 73352817

IUPACN-[[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidene]hydroxylamine
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c(C=NO)cn2C
InChIInChI=1S/C21H22N2O4/c1-13(15-9-19(25-3)21(27-5)20(10-15)26-4)14-6-7-18-17(8-14)16(11-22-24)12-23(18)2/h6-12,24H,1H2,2-5H3
InChIKeyDXTUCLSOVKMGAR-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.07
Rot. Bonds6

About N-[[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidene]hydroxylamine

N-[[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidene]hydroxylamine (PubChem CID 73352817) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidene]hydroxylamine
PubChem CID73352817
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidene]hydroxylamine
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c(C=NO)cn2C
InChIInChI=1S/C21H22N2O4/c1-13(15-9-19(25-3)21(27-5)20(10-15)26-4)14-6-7-18-17(8-14)16(11-22-24)12-23(18)2/h6-12,24H,1H2,2-5H3
InChIKeyDXTUCLSOVKMGAR-UHFFFAOYSA-N
XLogP4.07
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidene]hydroxylamine (CID 73352817) is N-[[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidene]hydroxylamine is C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c(C=NO)cn2C.
What is the InChIKey of N-[[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidene]hydroxylamine?
The InChIKey is DXTUCLSOVKMGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13(15-9-19(25-3)21(27-5)20(10-15)26-4)14-6-7-18-17(8-14)16(11-22-24)12-23(18)2/h6-12,24H,1H2,2-5H3.
What are the key properties of N-[[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidene]hydroxylamine?
N-[[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidene]hydroxylamine has a molecular weight of 366.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidene]hydroxylamine is sourced from PubChem (CID 73352817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).