3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

C15H26N2O2 — CID 64862911

IUPAC3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC1(C)C(NCCC(=O)N2CCCC2)C2CCOC21
InChIInChI=1S/C15H26N2O2/c1-15(2)13(11-6-10-19-14(11)15)16-7-5-12(18)17-8-3-4-9-17/h11,13-14,16H,3-10H2,1-2H3
InChIKeyMPZILMUOFREDFE-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.40
Rot. Bonds4

About 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 64862911) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID64862911
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC1(C)C(NCCC(=O)N2CCCC2)C2CCOC21
InChIInChI=1S/C15H26N2O2/c1-15(2)13(11-6-10-19-14(11)15)16-7-5-12(18)17-8-3-4-9-17/h11,13-14,16H,3-10H2,1-2H3
InChIKeyMPZILMUOFREDFE-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 64862911) is 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is CC1(C)C(NCCC(=O)N2CCCC2)C2CCOC21.
What is the InChIKey of 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is MPZILMUOFREDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(2)13(11-6-10-19-14(11)15)16-7-5-12(18)17-8-3-4-9-17/h11,13-14,16H,3-10H2,1-2H3.
What are the key properties of 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 266.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 64862911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).