(1S,3R,5R)-N,N,1-trimethyl-6-oxabicyclo[3.1.0]hexane-3-carboxamide

C9H15NO2 — CID 10103561

IUPAC(1S,3R,5R)-N,N,1-trimethyl-6-oxabicyclo[3.1.0]hexane-3-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@H]2O[C@@]2(C)C1
InChIInChI=1S/C9H15NO2/c1-9-5-6(4-7(9)12-9)8(11)10(2)3/h6-7H,4-5H2,1-3H3/t6-,7-,9+/m1/s1
InChIKeyJXDYPLUQDXBSBH-BHNWBGBOSA-N
MW169.22 g/mol
LogP0.64
Rot. Bonds1

About (1S,3R,5R)-N,N,1-trimethyl-6-oxabicyclo[3.1.0]hexane-3-carboxamide

(1S,3R,5R)-N,N,1-trimethyl-6-oxabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 10103561) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (1S,3R,5R)-N,N,1-trimethyl-6-oxabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1S,3R,5R)-N,N,1-trimethyl-6-oxabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID10103561
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(1S,3R,5R)-N,N,1-trimethyl-6-oxabicyclo[3.1.0]hexane-3-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@H]2O[C@@]2(C)C1
InChIInChI=1S/C9H15NO2/c1-9-5-6(4-7(9)12-9)8(11)10(2)3/h6-7H,4-5H2,1-3H3/t6-,7-,9+/m1/s1
InChIKeyJXDYPLUQDXBSBH-BHNWBGBOSA-N
XLogP0.64
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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1-N,1-N,3-N,3-N,5-pentamethylcyclohexane-1,3-dicarboxamide
CID 158969228
amino (1R,3R,6S)-6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 159481810
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CID 98083759
(1S,3S,4S,6S)-3,4-dibromo-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 99952725
(1R,3R,4R,6S)-3,4-dibromo-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 98553630
[2,2-dimethyl-3-[(1S)-6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl]oxypropyl] 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 89333800
(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
CID 173021460
N-[2-[(4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)amino]ethyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide
CID 59364622
N,N-dimethyl-3-sulfanylcyclohexane-1-carboxamide
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N,N,3-trimethyl-4-oxocyclopentane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (1S,3R,5R)-N,N,1-trimethyl-6-oxabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1S,3R,5R)-N,N,1-trimethyl-6-oxabicyclo[3.1.0]hexane-3-carboxamide (CID 10103561) is (1S,3R,5R)-N,N,1-trimethyl-6-oxabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1S,3R,5R)-N,N,1-trimethyl-6-oxabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1S,3R,5R)-N,N,1-trimethyl-6-oxabicyclo[3.1.0]hexane-3-carboxamide is CN(C)C(=O)[C@@H]1C[C@H]2O[C@@]2(C)C1.
What is the InChIKey of (1S,3R,5R)-N,N,1-trimethyl-6-oxabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is JXDYPLUQDXBSBH-BHNWBGBOSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9-5-6(4-7(9)12-9)8(11)10(2)3/h6-7H,4-5H2,1-3H3/t6-,7-,9+/m1/s1.
What are the key properties of (1S,3R,5R)-N,N,1-trimethyl-6-oxabicyclo[3.1.0]hexane-3-carboxamide?
(1S,3R,5R)-N,N,1-trimethyl-6-oxabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 169.22 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,5R)-N,N,1-trimethyl-6-oxabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 10103561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).