2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one

C14H24N2O2 — CID 113235526

IUPAC2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NCC1CC2CCC1O2)C(=O)N1CCCC1
InChIInChI=1S/C14H24N2O2/c1-10(14(17)16-6-2-3-7-16)15-9-11-8-12-4-5-13(11)18-12/h10-13,15H,2-9H2,1H3
InChIKeyDHGZXQGOMNMAAI-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.15
Rot. Bonds4

About 2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one

2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 113235526) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID113235526
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NCC1CC2CCC1O2)C(=O)N1CCCC1
InChIInChI=1S/C14H24N2O2/c1-10(14(17)16-6-2-3-7-16)15-9-11-8-12-4-5-13(11)18-12/h10-13,15H,2-9H2,1H3
InChIKeyDHGZXQGOMNMAAI-UHFFFAOYSA-N
XLogP1.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one (CID 113235526) is 2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one is CC(NCC1CC2CCC1O2)C(=O)N1CCCC1.
What is the InChIKey of 2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is DHGZXQGOMNMAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(14(17)16-6-2-3-7-16)15-9-11-8-12-4-5-13(11)18-12/h10-13,15H,2-9H2,1H3.
What are the key properties of 2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one?
2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 252.36 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 113235526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).