(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-pyrrolidin-1-ylmethanone

C14H24N2O2 — CID 114945001

IUPAC(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-pyrrolidin-1-ylmethanone
SMILESCC1(C)C2OCCCC2C1(N)C(=O)N1CCCC1
InChIInChI=1S/C14H24N2O2/c1-13(2)11-10(6-5-9-18-11)14(13,15)12(17)16-7-3-4-8-16/h10-11H,3-9,15H2,1-2H3
InChIKeyTWWBPYCMCZTHJR-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.14
Rot. Bonds1

About (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-pyrrolidin-1-ylmethanone

(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-pyrrolidin-1-ylmethanone (PubChem CID 114945001) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-pyrrolidin-1-ylmethanone
PubChem CID114945001
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-pyrrolidin-1-ylmethanone
SMILESCC1(C)C2OCCCC2C1(N)C(=O)N1CCCC1
InChIInChI=1S/C14H24N2O2/c1-13(2)11-10(6-5-9-18-11)14(13,15)12(17)16-7-3-4-8-16/h10-11H,3-9,15H2,1-2H3
InChIKeyTWWBPYCMCZTHJR-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

(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)-(4,4-dimethylpiperidin-1-yl)methanone
CID 114945996
(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 114946596
(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 114946555
1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid
CID 114945682
(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)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 114945604
(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-methylthiomorpholin-4-yl)methanone
CID 114946120
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2-methylpiperidin-1-yl)methanone
CID 114945016
(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)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 114946309
7-amino-8,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945326

Frequently Asked Questions

What is the IUPAC name of (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-pyrrolidin-1-ylmethanone (CID 114945001) is (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-pyrrolidin-1-ylmethanone is CC1(C)C2OCCCC2C1(N)C(=O)N1CCCC1.
What is the InChIKey of (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is TWWBPYCMCZTHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-13(2)11-10(6-5-9-18-11)14(13,15)12(17)16-7-3-4-8-16/h10-11H,3-9,15H2,1-2H3.
What are the key properties of (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-pyrrolidin-1-ylmethanone?
(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 252.36 g/mol, XLogP of 1.14, 1 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)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 114945001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).