N'-methyl-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)ethanimidamide

C15H19N3O2 — CID 134356299

IUPACN'-methyl-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)ethanimidamide
SMILESC/N=C(\C)Nc1ccc2c(c1)NC(=O)C21CCOCC1
InChIInChI=1S/C15H19N3O2/c1-10(16-2)17-11-3-4-12-13(9-11)18-14(19)15(12)5-7-20-8-6-15/h3-4,9H,5-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyYNQRSRUSQLNLGD-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.15
Rot. Bonds1

About N'-methyl-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)ethanimidamide

N'-methyl-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)ethanimidamide (PubChem CID 134356299) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N'-methyl-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)ethanimidamide
PubChem CID134356299
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN'-methyl-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)ethanimidamide
SMILESC/N=C(\C)Nc1ccc2c(c1)NC(=O)C21CCOCC1
InChIInChI=1S/C15H19N3O2/c1-10(16-2)17-11-3-4-12-13(9-11)18-14(19)15(12)5-7-20-8-6-15/h3-4,9H,5-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyYNQRSRUSQLNLGD-UHFFFAOYSA-N
XLogP2.15
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)ethanimidamide?
The IUPAC name of N'-methyl-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)ethanimidamide (CID 134356299) is N'-methyl-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)ethanimidamide.
What is the SMILES notation for N'-methyl-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)ethanimidamide?
The canonical SMILES for N'-methyl-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)ethanimidamide is C/N=C(\C)Nc1ccc2c(c1)NC(=O)C21CCOCC1.
What is the InChIKey of N'-methyl-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)ethanimidamide?
The InChIKey is YNQRSRUSQLNLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(16-2)17-11-3-4-12-13(9-11)18-14(19)15(12)5-7-20-8-6-15/h3-4,9H,5-8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of N'-methyl-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)ethanimidamide?
N'-methyl-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)ethanimidamide has a molecular weight of 273.34 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)ethanimidamide is sourced from PubChem (CID 134356299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).