N-[1-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-6-yl]hydroxylamine

C15H19N3O — CID 89109951

IUPACN-[1-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-6-yl]hydroxylamine
SMILESCN1CC=C(c2cn(C)c3cc(NO)ccc23)CC1
InChIInChI=1S/C15H19N3O/c1-17-7-5-11(6-8-17)14-10-18(2)15-9-12(16-19)3-4-13(14)15/h3-5,9-10,16,19H,6-8H2,1-2H3
InChIKeyHHFZLBBUVZGGGD-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.70
Rot. Bonds2

About N-[1-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-6-yl]hydroxylamine

N-[1-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-6-yl]hydroxylamine (PubChem CID 89109951) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[1-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-6-yl]hydroxylamine.

Molecular Properties

Compound NameN-[1-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-6-yl]hydroxylamine
PubChem CID89109951
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[1-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-6-yl]hydroxylamine
SMILESCN1CC=C(c2cn(C)c3cc(NO)ccc23)CC1
InChIInChI=1S/C15H19N3O/c1-17-7-5-11(6-8-17)14-10-18(2)15-9-12(16-19)3-4-13(14)15/h3-5,9-10,16,19H,6-8H2,1-2H3
InChIKeyHHFZLBBUVZGGGD-UHFFFAOYSA-N
XLogP2.70
TPSA40.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[1-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-6-yl]hydroxylamine?
The IUPAC name of N-[1-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-6-yl]hydroxylamine (CID 89109951) is N-[1-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-6-yl]hydroxylamine.
What is the SMILES notation for N-[1-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-6-yl]hydroxylamine?
The canonical SMILES for N-[1-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-6-yl]hydroxylamine is CN1CC=C(c2cn(C)c3cc(NO)ccc23)CC1.
What is the InChIKey of N-[1-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-6-yl]hydroxylamine?
The InChIKey is HHFZLBBUVZGGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-17-7-5-11(6-8-17)14-10-18(2)15-9-12(16-19)3-4-13(14)15/h3-5,9-10,16,19H,6-8H2,1-2H3.
What are the key properties of N-[1-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-6-yl]hydroxylamine?
N-[1-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-6-yl]hydroxylamine has a molecular weight of 257.34 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-6-yl]hydroxylamine is sourced from PubChem (CID 89109951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).