[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate

C10H17NO4 — CID 25139109

IUPAC[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate
SMILESCCCC[C@H]1C=C[C@H](OC(=O)NO)CO1
InChIInChI=1S/C10H17NO4/c1-2-3-4-8-5-6-9(7-14-8)15-10(12)11-13/h5-6,8-9,13H,2-4,7H2,1H3,(H,11,12)/t8-,9-/m0/s1
InChIKeyLOGNAZHOPWOZMP-IUCAKERBSA-N
MW215.25 g/mol
LogP1.62
Rot. Bonds4

About [(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate

[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate (PubChem CID 25139109) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is [(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate.

Molecular Properties

Compound Name[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate
PubChem CID25139109
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate
SMILESCCCC[C@H]1C=C[C@H](OC(=O)NO)CO1
InChIInChI=1S/C10H17NO4/c1-2-3-4-8-5-6-9(7-14-8)15-10(12)11-13/h5-6,8-9,13H,2-4,7H2,1H3,(H,11,12)/t8-,9-/m0/s1
InChIKeyLOGNAZHOPWOZMP-IUCAKERBSA-N
XLogP1.62
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 [(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate?
The IUPAC name of [(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate (CID 25139109) is [(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate.
What is the SMILES notation for [(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate?
The canonical SMILES for [(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate is CCCC[C@H]1C=C[C@H](OC(=O)NO)CO1.
What is the InChIKey of [(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate?
The InChIKey is LOGNAZHOPWOZMP-IUCAKERBSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-3-4-8-5-6-9(7-14-8)15-10(12)11-13/h5-6,8-9,13H,2-4,7H2,1H3,(H,11,12)/t8-,9-/m0/s1.
What are the key properties of [(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate?
[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate has a molecular weight of 215.25 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate is sourced from PubChem (CID 25139109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).