2-(cyclopenten-1-yl)-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

C15H24N2O2 — CID 91771341

IUPAC2-(cyclopenten-1-yl)-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESCN(C)[C@@H]1[C@@H](NC(=O)CC2=CCCC2)[C@H]2CCO[C@H]21
InChIInChI=1S/C15H24N2O2/c1-17(2)14-13(11-7-8-19-15(11)14)16-12(18)9-10-5-3-4-6-10/h5,11,13-15H,3-4,6-9H2,1-2H3,(H,16,18)/t11-,13+,14-,15-/m1/s1
InChIKeyKKSRYDLAEUDZIJ-FAAHXZRKSA-N
MW264.37 g/mol
LogP1.32
Rot. Bonds4

About 2-(cyclopenten-1-yl)-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

2-(cyclopenten-1-yl)-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (PubChem CID 91771341) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
PubChem CID91771341
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(cyclopenten-1-yl)-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESCN(C)[C@@H]1[C@@H](NC(=O)CC2=CCCC2)[C@H]2CCO[C@H]21
InChIInChI=1S/C15H24N2O2/c1-17(2)14-13(11-7-8-19-15(11)14)16-12(18)9-10-5-3-4-6-10/h5,11,13-15H,3-4,6-9H2,1-2H3,(H,16,18)/t11-,13+,14-,15-/m1/s1
InChIKeyKKSRYDLAEUDZIJ-FAAHXZRKSA-N
XLogP1.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The IUPAC name of 2-(cyclopenten-1-yl)-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (CID 91771341) is 2-(cyclopenten-1-yl)-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.
What is the SMILES notation for 2-(cyclopenten-1-yl)-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The canonical SMILES for 2-(cyclopenten-1-yl)-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is CN(C)[C@@H]1[C@@H](NC(=O)CC2=CCCC2)[C@H]2CCO[C@H]21.
What is the InChIKey of 2-(cyclopenten-1-yl)-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The InChIKey is KKSRYDLAEUDZIJ-FAAHXZRKSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(2)14-13(11-7-8-19-15(11)14)16-12(18)9-10-5-3-4-6-10/h5,11,13-15H,3-4,6-9H2,1-2H3,(H,16,18)/t11-,13+,14-,15-/m1/s1.
What are the key properties of 2-(cyclopenten-1-yl)-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
2-(cyclopenten-1-yl)-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide has a molecular weight of 264.37 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is sourced from PubChem (CID 91771341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).