5-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]pyrrolidin-2-one

C14H24N2O2 — CID 64862879

IUPAC5-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]pyrrolidin-2-one
SMILESCC1(C)C(NCC2CCC(=O)N2)C2CCCOC21
InChIInChI=1S/C14H24N2O2/c1-14(2)12(10-4-3-7-18-13(10)14)15-8-9-5-6-11(17)16-9/h9-10,12-13,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyVSQWSXAVPBHCIT-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.06
Rot. Bonds3

About 5-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]pyrrolidin-2-one

5-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 64862879) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]pyrrolidin-2-one
PubChem CID64862879
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name5-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]pyrrolidin-2-one
SMILESCC1(C)C(NCC2CCC(=O)N2)C2CCCOC21
InChIInChI=1S/C14H24N2O2/c1-14(2)12(10-4-3-7-18-13(10)14)15-8-9-5-6-11(17)16-9/h9-10,12-13,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyVSQWSXAVPBHCIT-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]pyrrolidin-2-one (CID 64862879) is 5-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]pyrrolidin-2-one is CC1(C)C(NCC2CCC(=O)N2)C2CCCOC21.
What is the InChIKey of 5-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is VSQWSXAVPBHCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2)12(10-4-3-7-18-13(10)14)15-8-9-5-6-11(17)16-9/h9-10,12-13,15H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 5-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]pyrrolidin-2-one?
5-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 252.36 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 64862879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).