N-[(2,6-dimethyl-3,6-dihydro-2H-pyran-5-yl)methylidene]hydroxylamine

C8H13NO2 — CID 74999405

IUPACN-[(2,6-dimethyl-3,6-dihydro-2H-pyran-5-yl)methylidene]hydroxylamine
SMILESCC1CC=C(C=NO)C(C)O1
InChIInChI=1S/C8H13NO2/c1-6-3-4-8(5-9-10)7(2)11-6/h4-7,10H,3H2,1-2H3
InChIKeyHLLHRZVCCPRVSH-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.57
Rot. Bonds1

About N-[(2,6-dimethyl-3,6-dihydro-2H-pyran-5-yl)methylidene]hydroxylamine

N-[(2,6-dimethyl-3,6-dihydro-2H-pyran-5-yl)methylidene]hydroxylamine (PubChem CID 74999405) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[(2,6-dimethyl-3,6-dihydro-2H-pyran-5-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2,6-dimethyl-3,6-dihydro-2H-pyran-5-yl)methylidene]hydroxylamine
PubChem CID74999405
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-[(2,6-dimethyl-3,6-dihydro-2H-pyran-5-yl)methylidene]hydroxylamine
SMILESCC1CC=C(C=NO)C(C)O1
InChIInChI=1S/C8H13NO2/c1-6-3-4-8(5-9-10)7(2)11-6/h4-7,10H,3H2,1-2H3
InChIKeyHLLHRZVCCPRVSH-UHFFFAOYSA-N
XLogP1.57
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.57
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 N-[(2,6-dimethyl-3,6-dihydro-2H-pyran-5-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(2,6-dimethyl-3,6-dihydro-2H-pyran-5-yl)methylidene]hydroxylamine (CID 74999405) is N-[(2,6-dimethyl-3,6-dihydro-2H-pyran-5-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2,6-dimethyl-3,6-dihydro-2H-pyran-5-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2,6-dimethyl-3,6-dihydro-2H-pyran-5-yl)methylidene]hydroxylamine is CC1CC=C(C=NO)C(C)O1.
What is the InChIKey of N-[(2,6-dimethyl-3,6-dihydro-2H-pyran-5-yl)methylidene]hydroxylamine?
The InChIKey is HLLHRZVCCPRVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6-3-4-8(5-9-10)7(2)11-6/h4-7,10H,3H2,1-2H3.
What are the key properties of N-[(2,6-dimethyl-3,6-dihydro-2H-pyran-5-yl)methylidene]hydroxylamine?
N-[(2,6-dimethyl-3,6-dihydro-2H-pyran-5-yl)methylidene]hydroxylamine has a molecular weight of 155.20 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethyl-3,6-dihydro-2H-pyran-5-yl)methylidene]hydroxylamine is sourced from PubChem (CID 74999405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).