O-[6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-5-yl]hydroxylamine

C8H13NO2 — CID 121419762

IUPACO-[6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-5-yl]hydroxylamine
SMILESC/C=C/C1=C(ON)CCCO1
InChIInChI=1S/C8H13NO2/c1-2-4-7-8(11-9)5-3-6-10-7/h2,4H,3,5-6,9H2,1H3/b4-2+
InChIKeyURWHTAJQIVYILC-DUXPYHPUSA-N
MW155.20 g/mol
LogP1.47
Rot. Bonds2

About O-[6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-5-yl]hydroxylamine

O-[6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-5-yl]hydroxylamine (PubChem CID 121419762) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is O-[6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-5-yl]hydroxylamine.

Molecular Properties

Compound NameO-[6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-5-yl]hydroxylamine
PubChem CID121419762
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameO-[6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-5-yl]hydroxylamine
SMILESC/C=C/C1=C(ON)CCCO1
InChIInChI=1S/C8H13NO2/c1-2-4-7-8(11-9)5-3-6-10-7/h2,4H,3,5-6,9H2,1H3/b4-2+
InChIKeyURWHTAJQIVYILC-DUXPYHPUSA-N
XLogP1.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 O-[6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-5-yl]hydroxylamine?
The IUPAC name of O-[6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-5-yl]hydroxylamine (CID 121419762) is O-[6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-5-yl]hydroxylamine.
What is the SMILES notation for O-[6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-5-yl]hydroxylamine?
The canonical SMILES for O-[6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-5-yl]hydroxylamine is C/C=C/C1=C(ON)CCCO1.
What is the InChIKey of O-[6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-5-yl]hydroxylamine?
The InChIKey is URWHTAJQIVYILC-DUXPYHPUSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-4-7-8(11-9)5-3-6-10-7/h2,4H,3,5-6,9H2,1H3/b4-2+.
What are the key properties of O-[6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-5-yl]hydroxylamine?
O-[6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-5-yl]hydroxylamine has a molecular weight of 155.20 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-5-yl]hydroxylamine is sourced from PubChem (CID 121419762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).