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

C15H26N2O3 — CID 102780665

IUPAC(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCC1CCN(C(=O)C2(N)C3CCOC3C2(C)C)C1CO
InChIInChI=1S/C15H26N2O3/c1-9-4-6-17(11(9)8-18)13(19)15(16)10-5-7-20-12(10)14(15,2)3/h9-12,18H,4-8,16H2,1-3H3
InChIKeyYDGDEXHAZULAJT-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.36
Rot. Bonds2

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

(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 102780665) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
PubChem CID102780665
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCC1CCN(C(=O)C2(N)C3CCOC3C2(C)C)C1CO
InChIInChI=1S/C15H26N2O3/c1-9-4-6-17(11(9)8-18)13(19)15(16)10-5-7-20-12(10)14(15,2)3/h9-12,18H,4-8,16H2,1-3H3
InChIKeyYDGDEXHAZULAJT-UHFFFAOYSA-N
XLogP0.36
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (CID 102780665) is (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is CC1CCN(C(=O)C2(N)C3CCOC3C2(C)C)C1CO.
What is the InChIKey of (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is YDGDEXHAZULAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-9-4-6-17(11(9)8-18)13(19)15(16)10-5-7-20-12(10)14(15,2)3/h9-12,18H,4-8,16H2,1-3H3.
What are the key properties of (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 282.38 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 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)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 102780665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).