(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone

C17H30N2O2 — CID 114946596

IUPAC(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2(N)C3CCCOC3C2(C)C)C1
InChIInChI=1S/C17H30N2O2/c1-11(2)12-7-8-19(10-12)15(20)17(18)13-6-5-9-21-14(13)16(17,3)4/h11-14H,5-10,18H2,1-4H3
InChIKeyLTMHAFYEQOIUQB-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.02
Rot. Bonds2

About (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone

(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone (PubChem CID 114946596) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
PubChem CID114946596
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2(N)C3CCCOC3C2(C)C)C1
InChIInChI=1S/C17H30N2O2/c1-11(2)12-7-8-19(10-12)15(20)17(18)13-6-5-9-21-14(13)16(17,3)4/h11-14H,5-10,18H2,1-4H3
InChIKeyLTMHAFYEQOIUQB-UHFFFAOYSA-N
XLogP2.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone with MolForge

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Related Compounds

(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-pyrrolidin-1-ylmethanone
CID 114945001
(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)-(3-ethylpyrrolidin-1-yl)methanone
CID 114946599
(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)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114947024
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)-(4,4-dimethylpiperidin-1-yl)methanone
CID 114945996
(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(2-ethylpiperidin-1-yl)methanone
CID 114945287
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2-methylthiomorpholin-4-yl)methanone
CID 114946793
(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-N-[(1S)-1-cyclopentylethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 104985278
7-amino-N-cyclohexyl-N,8,8-trimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945102

Frequently Asked Questions

What is the IUPAC name of (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone (CID 114946596) is (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone is CC(C)C1CCN(C(=O)C2(N)C3CCCOC3C2(C)C)C1.
What is the InChIKey of (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is LTMHAFYEQOIUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-11(2)12-7-8-19(10-12)15(20)17(18)13-6-5-9-21-14(13)16(17,3)4/h11-14H,5-10,18H2,1-4H3.
What are the key properties of (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone?
(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 294.44 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 114946596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).