(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

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Related Compounds

(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 114946555
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114947024
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 114945996
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(azocan-1-yl)methanone
CID 114945234
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2-methylthiomorpholin-4-yl)methanone
CID 114946793
1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid
CID 114945682
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 114946309
(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 114946596
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103356035
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 114945932
(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-pyrrolidin-1-ylmethanone
CID 114945001
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 114945604

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).