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

C12H15NO3 — CID 117315614

IUPACN-[(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine
SMILESCc1c2c(c(CNO)c3c1OCC3)OCC2
InChIInChI=1S/C12H15NO3/c1-7-8-2-4-16-12(8)10(6-13-14)9-3-5-15-11(7)9/h13-14H,2-6H2,1H3
InChIKeyJYZLWTYCNUXMKC-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.34
Rot. Bonds2

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

N-[(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine (PubChem CID 117315614) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine
PubChem CID117315614
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-[(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine
SMILESCc1c2c(c(CNO)c3c1OCC3)OCC2
InChIInChI=1S/C12H15NO3/c1-7-8-2-4-16-12(8)10(6-13-14)9-3-5-15-11(7)9/h13-14H,2-6H2,1H3
InChIKeyJYZLWTYCNUXMKC-UHFFFAOYSA-N
XLogP1.34
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.34
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-[(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine?
The IUPAC name of N-[(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine (CID 117315614) is N-[(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine is Cc1c2c(c(CNO)c3c1OCC3)OCC2.
What is the InChIKey of N-[(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine?
The InChIKey is JYZLWTYCNUXMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-7-8-2-4-16-12(8)10(6-13-14)9-3-5-15-11(7)9/h13-14H,2-6H2,1H3.
What are the key properties of N-[(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine?
N-[(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine has a molecular weight of 221.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine is sourced from PubChem (CID 117315614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).