N-[[1-methyl-2-(4-methylpiperazin-1-yl)indol-3-yl]methylidene]hydroxylamine

C15H20N4O — CID 5094036

IUPACN-[[1-methyl-2-(4-methylpiperazin-1-yl)indol-3-yl]methylidene]hydroxylamine
SMILESCN1CCN(c2c(C=NO)c3ccccc3n2C)CC1
InChIInChI=1S/C15H20N4O/c1-17-7-9-19(10-8-17)15-13(11-16-20)12-5-3-4-6-14(12)18(15)2/h3-6,11,20H,7-10H2,1-2H3
InChIKeyNYSBOWNMTHNWRD-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.74
Rot. Bonds2

About N-[[1-methyl-2-(4-methylpiperazin-1-yl)indol-3-yl]methylidene]hydroxylamine

N-[[1-methyl-2-(4-methylpiperazin-1-yl)indol-3-yl]methylidene]hydroxylamine (PubChem CID 5094036) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[[1-methyl-2-(4-methylpiperazin-1-yl)indol-3-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[1-methyl-2-(4-methylpiperazin-1-yl)indol-3-yl]methylidene]hydroxylamine
PubChem CID5094036
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[[1-methyl-2-(4-methylpiperazin-1-yl)indol-3-yl]methylidene]hydroxylamine
SMILESCN1CCN(c2c(C=NO)c3ccccc3n2C)CC1
InChIInChI=1S/C15H20N4O/c1-17-7-9-19(10-8-17)15-13(11-16-20)12-5-3-4-6-14(12)18(15)2/h3-6,11,20H,7-10H2,1-2H3
InChIKeyNYSBOWNMTHNWRD-UHFFFAOYSA-N
XLogP1.74
TPSA44.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-2-(4-methylpiperazin-1-yl)indol-3-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[1-methyl-2-(4-methylpiperazin-1-yl)indol-3-yl]methylidene]hydroxylamine (CID 5094036) is N-[[1-methyl-2-(4-methylpiperazin-1-yl)indol-3-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[1-methyl-2-(4-methylpiperazin-1-yl)indol-3-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[1-methyl-2-(4-methylpiperazin-1-yl)indol-3-yl]methylidene]hydroxylamine is CN1CCN(c2c(C=NO)c3ccccc3n2C)CC1.
What is the InChIKey of N-[[1-methyl-2-(4-methylpiperazin-1-yl)indol-3-yl]methylidene]hydroxylamine?
The InChIKey is NYSBOWNMTHNWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-17-7-9-19(10-8-17)15-13(11-16-20)12-5-3-4-6-14(12)18(15)2/h3-6,11,20H,7-10H2,1-2H3.
What are the key properties of N-[[1-methyl-2-(4-methylpiperazin-1-yl)indol-3-yl]methylidene]hydroxylamine?
N-[[1-methyl-2-(4-methylpiperazin-1-yl)indol-3-yl]methylidene]hydroxylamine has a molecular weight of 272.35 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-2-(4-methylpiperazin-1-yl)indol-3-yl]methylidene]hydroxylamine is sourced from PubChem (CID 5094036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).