N-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine

C14H19NO3 — CID 117376308

IUPACN-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine
SMILESCc1c2c(c(CNO)c3c1OC(C)C3)OC(C)C2
InChIInChI=1S/C14H19NO3/c1-7-4-10-9(3)13-11(5-8(2)17-13)12(6-15-16)14(10)18-7/h7-8,15-16H,4-6H2,1-3H3
InChIKeyCSPSMMFMWMYGMK-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.12
Rot. Bonds2

About N-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine

N-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine (PubChem CID 117376308) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine
PubChem CID117376308
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine
SMILESCc1c2c(c(CNO)c3c1OC(C)C3)OC(C)C2
InChIInChI=1S/C14H19NO3/c1-7-4-10-9(3)13-11(5-8(2)17-13)12(6-15-16)14(10)18-7/h7-8,15-16H,4-6H2,1-3H3
InChIKeyCSPSMMFMWMYGMK-UHFFFAOYSA-N
XLogP2.12
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.12
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-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine?
The IUPAC name of N-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine (CID 117376308) is N-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine is Cc1c2c(c(CNO)c3c1OC(C)C3)OC(C)C2.
What is the InChIKey of N-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine?
The InChIKey is CSPSMMFMWMYGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-7-4-10-9(3)13-11(5-8(2)17-13)12(6-15-16)14(10)18-7/h7-8,15-16H,4-6H2,1-3H3.
What are the key properties of N-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine?
N-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine has a molecular weight of 249.31 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine is sourced from PubChem (CID 117376308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).