3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

C17H30N2O2 — CID 64862898

IUPAC3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCOC1CC(NCCC(=O)N2CCCC2)C12CCCC2
InChIInChI=1S/C17H30N2O2/c1-2-21-15-13-14(17(15)8-3-4-9-17)18-10-7-16(20)19-11-5-6-12-19/h14-15,18H,2-13H2,1H3
InChIKeyBMLJHWNUNJVTCV-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.33
Rot. Bonds6

About 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 64862898) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID64862898
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCOC1CC(NCCC(=O)N2CCCC2)C12CCCC2
InChIInChI=1S/C17H30N2O2/c1-2-21-15-13-14(17(15)8-3-4-9-17)18-10-7-16(20)19-11-5-6-12-19/h14-15,18H,2-13H2,1H3
InChIKeyBMLJHWNUNJVTCV-UHFFFAOYSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 64862898) is 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is CCOC1CC(NCCC(=O)N2CCCC2)C12CCCC2.
What is the InChIKey of 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is BMLJHWNUNJVTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-2-21-15-13-14(17(15)8-3-4-9-17)18-10-7-16(20)19-11-5-6-12-19/h14-15,18H,2-13H2,1H3.
What are the key properties of 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 294.44 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 64862898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).