(1R,5R)-N-(oxan-2-yloxy)-3-oxabicyclo[3.1.0]hexane-1-carboxamide

C11H17NO4 — CID 154865294

IUPAC(1R,5R)-N-(oxan-2-yloxy)-3-oxabicyclo[3.1.0]hexane-1-carboxamide
SMILESO=C(NOC1CCCCO1)[C@@]12COC[C@@H]1C2
InChIInChI=1S/C11H17NO4/c13-10(11-5-8(11)6-14-7-11)12-16-9-3-1-2-4-15-9/h8-9H,1-7H2,(H,12,13)/t8-,9?,11-/m0/s1
InChIKeyYXTNKCDZHXCGTK-QCZWPSDZSA-N
MW227.26 g/mol
LogP0.60
Rot. Bonds3

About (1R,5R)-N-(oxan-2-yloxy)-3-oxabicyclo[3.1.0]hexane-1-carboxamide

(1R,5R)-N-(oxan-2-yloxy)-3-oxabicyclo[3.1.0]hexane-1-carboxamide (PubChem CID 154865294) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is (1R,5R)-N-(oxan-2-yloxy)-3-oxabicyclo[3.1.0]hexane-1-carboxamide.

Molecular Properties

Compound Name(1R,5R)-N-(oxan-2-yloxy)-3-oxabicyclo[3.1.0]hexane-1-carboxamide
PubChem CID154865294
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name(1R,5R)-N-(oxan-2-yloxy)-3-oxabicyclo[3.1.0]hexane-1-carboxamide
SMILESO=C(NOC1CCCCO1)[C@@]12COC[C@@H]1C2
InChIInChI=1S/C11H17NO4/c13-10(11-5-8(11)6-14-7-11)12-16-9-3-1-2-4-15-9/h8-9H,1-7H2,(H,12,13)/t8-,9?,11-/m0/s1
InChIKeyYXTNKCDZHXCGTK-QCZWPSDZSA-N
XLogP0.60
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1R)-2,2-dichloro-1-methyl-N-[(2S)-oxan-2-yl]oxycyclopropane-1-carboxamide
CID 94820955
(2S)-N-[(2S)-oxan-2-yl]oxy-6-oxaspiro[2.5]octane-2-carboxamide
CID 95972380
N-(oxan-2-yloxy)cyclopropanecarboxamide
CID 130685295
tert-butyl N-(oxan-2-yloxy)carbamate
CID 11790630
(2R,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxyoxolane-2-carboxamide
CID 97023842
2-(3-hydroxy-1-adamantyl)-N-(oxan-2-yloxy)acetamide
CID 51103305
4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide
CID 95322508
1-methyl-1,3-bis(oxan-2-yloxy)urea
CID 19371750
N-(oxan-2-yloxy)-2-pyrimidin-5-ylacetamide
CID 154862278
trans-(1R,2R)-2-cyclohexyl-N-[(2R)-oxan-2-yl]oxycyclopropane-1-carboxamide
CID 99716407
N-(oxan-2-yloxy)hexanamide
CID 142707517
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-N-(oxan-2-yloxy)-3-oxabicyclo[3.1.0]hexane-1-carboxamide?
The IUPAC name of (1R,5R)-N-(oxan-2-yloxy)-3-oxabicyclo[3.1.0]hexane-1-carboxamide (CID 154865294) is (1R,5R)-N-(oxan-2-yloxy)-3-oxabicyclo[3.1.0]hexane-1-carboxamide.
What is the SMILES notation for (1R,5R)-N-(oxan-2-yloxy)-3-oxabicyclo[3.1.0]hexane-1-carboxamide?
The canonical SMILES for (1R,5R)-N-(oxan-2-yloxy)-3-oxabicyclo[3.1.0]hexane-1-carboxamide is O=C(NOC1CCCCO1)[C@@]12COC[C@@H]1C2.
What is the InChIKey of (1R,5R)-N-(oxan-2-yloxy)-3-oxabicyclo[3.1.0]hexane-1-carboxamide?
The InChIKey is YXTNKCDZHXCGTK-QCZWPSDZSA-N. The full InChI is InChI=1S/C11H17NO4/c13-10(11-5-8(11)6-14-7-11)12-16-9-3-1-2-4-15-9/h8-9H,1-7H2,(H,12,13)/t8-,9?,11-/m0/s1.
What are the key properties of (1R,5R)-N-(oxan-2-yloxy)-3-oxabicyclo[3.1.0]hexane-1-carboxamide?
(1R,5R)-N-(oxan-2-yloxy)-3-oxabicyclo[3.1.0]hexane-1-carboxamide has a molecular weight of 227.26 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-N-(oxan-2-yloxy)-3-oxabicyclo[3.1.0]hexane-1-carboxamide is sourced from PubChem (CID 154865294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).