3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

C16H28N2O2 — CID 65294939

IUPAC3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCOC1CC(NCCC(=O)N2CCCC2)C12CCC2
InChIInChI=1S/C16H28N2O2/c1-2-20-14-12-13(16(14)7-5-8-16)17-9-6-15(19)18-10-3-4-11-18/h13-14,17H,2-12H2,1H3
InChIKeyJPOKRBFEMCJZPU-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.94
Rot. Bonds6

About 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 65294939) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID65294939
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCOC1CC(NCCC(=O)N2CCCC2)C12CCC2
InChIInChI=1S/C16H28N2O2/c1-2-20-14-12-13(16(14)7-5-8-16)17-9-6-15(19)18-10-3-4-11-18/h13-14,17H,2-12H2,1H3
InChIKeyJPOKRBFEMCJZPU-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[(2R)-oxolan-2-yl]propanamide
CID 129421241
3-[(3-Ethoxyspiro[3.3]heptan-1-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 75497546
(3R)-3-[[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 97795459
(3R)-3-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 97795461
(3S)-3-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124777110
(3S)-3-[[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124777111
3-[[2,2-Dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 64851559
3-[(3-Ethoxy-2,2-dimethylcyclobutyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 64852482
3-[(3-Ethoxyspiro[3.4]octan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 64862898
3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-diethylpropanamide
CID 64863705
3-[(3-Ethoxyspiro[3.4]octan-1-yl)amino]propanamide
CID 64864232
1-[4-[(3-Ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]ethanone
CID 64864624

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 65294939) is 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is CCOC1CC(NCCC(=O)N2CCCC2)C12CCC2.
What is the InChIKey of 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is JPOKRBFEMCJZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-20-14-12-13(16(14)7-5-8-16)17-9-6-15(19)18-10-3-4-11-18/h13-14,17H,2-12H2,1H3.
What are the key properties of 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 280.41 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 65294939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).