(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-ethylpyrrolidin-1-yl)methanone

C15H26N2O2 — CID 114946599

IUPAC(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCN(C(=O)C2(N)C3CCOC3C2(C)C)C1
InChIInChI=1S/C15H26N2O2/c1-4-10-5-7-17(9-10)13(18)15(16)11-6-8-19-12(11)14(15,2)3/h10-12H,4-9,16H2,1-3H3
InChIKeyDZOLFZAGPPYSLO-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.39
Rot. Bonds2

About (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-ethylpyrrolidin-1-yl)methanone

(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-ethylpyrrolidin-1-yl)methanone (PubChem CID 114946599) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-ethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-ethylpyrrolidin-1-yl)methanone
PubChem CID114946599
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCN(C(=O)C2(N)C3CCOC3C2(C)C)C1
InChIInChI=1S/C15H26N2O2/c1-4-10-5-7-17(9-10)13(18)15(16)11-6-8-19-12(11)14(15,2)3/h10-12H,4-9,16H2,1-3H3
InChIKeyDZOLFZAGPPYSLO-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-ethylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-ethylpyrrolidin-1-yl)methanone?
The IUPAC name of (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-ethylpyrrolidin-1-yl)methanone (CID 114946599) is (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-ethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-ethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-ethylpyrrolidin-1-yl)methanone is CCC1CCN(C(=O)C2(N)C3CCOC3C2(C)C)C1.
What is the InChIKey of (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-ethylpyrrolidin-1-yl)methanone?
The InChIKey is DZOLFZAGPPYSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-10-5-7-17(9-10)13(18)15(16)11-6-8-19-12(11)14(15,2)3/h10-12H,4-9,16H2,1-3H3.
What are the key properties of (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-ethylpyrrolidin-1-yl)methanone?
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-ethylpyrrolidin-1-yl)methanone has a molecular weight of 266.38 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-ethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 114946599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).