(NZ)-N-(2-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene)hydroxylamine;2-methylpropane

C13H21NO2 — CID 155577913

IUPAC(NZ)-N-(2-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene)hydroxylamine;2-methylpropane
SMILESCC(C)C.Cc1cc2c(o1)CCC/C2=N/O
InChIInChI=1S/C9H11NO2.C4H10/c1-6-5-7-8(10-11)3-2-4-9(7)12-6;1-4(2)3/h5,11H,2-4H2,1H3;4H,1-3H3/b10-8-;
InChIKeyWYGLPLYZDPUQEI-DQMXGCRQSA-N
MW223.32 g/mol
LogP3.76
Rot. Bonds

About (NZ)-N-(2-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene)hydroxylamine;2-methylpropane

(NZ)-N-(2-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene)hydroxylamine;2-methylpropane (PubChem CID 155577913) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (NZ)-N-(2-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene)hydroxylamine;2-methylpropane.

Molecular Properties

Compound Name(NZ)-N-(2-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene)hydroxylamine;2-methylpropane
PubChem CID155577913
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(NZ)-N-(2-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene)hydroxylamine;2-methylpropane
SMILESCC(C)C.Cc1cc2c(o1)CCC/C2=N/O
InChIInChI=1S/C9H11NO2.C4H10/c1-6-5-7-8(10-11)3-2-4-9(7)12-6;1-4(2)3/h5,11H,2-4H2,1H3;4H,1-3H3/b10-8-;
InChIKeyWYGLPLYZDPUQEI-DQMXGCRQSA-N
XLogP3.76
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (NZ)-N-(2-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene)hydroxylamine;2-methylpropane?
The IUPAC name of (NZ)-N-(2-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene)hydroxylamine;2-methylpropane (CID 155577913) is (NZ)-N-(2-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene)hydroxylamine;2-methylpropane.
What is the SMILES notation for (NZ)-N-(2-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene)hydroxylamine;2-methylpropane?
The canonical SMILES for (NZ)-N-(2-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene)hydroxylamine;2-methylpropane is CC(C)C.Cc1cc2c(o1)CCC/C2=N/O.
What is the InChIKey of (NZ)-N-(2-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene)hydroxylamine;2-methylpropane?
The InChIKey is WYGLPLYZDPUQEI-DQMXGCRQSA-N. The full InChI is InChI=1S/C9H11NO2.C4H10/c1-6-5-7-8(10-11)3-2-4-9(7)12-6;1-4(2)3/h5,11H,2-4H2,1H3;4H,1-3H3/b10-8-;.
What are the key properties of (NZ)-N-(2-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene)hydroxylamine;2-methylpropane?
(NZ)-N-(2-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene)hydroxylamine;2-methylpropane has a molecular weight of 223.32 g/mol, XLogP of 3.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene)hydroxylamine;2-methylpropane is sourced from PubChem (CID 155577913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).