3-[6-(cyclobutanecarbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one

C19H30N2O2 — CID 154579644

IUPAC3-[6-(cyclobutanecarbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCC1CN(C(=O)C2CCC2)CC12CCC2)N1CCCC1
InChIInChI=1S/C19H30N2O2/c22-17(20-11-1-2-12-20)8-7-16-13-21(14-19(16)9-4-10-19)18(23)15-5-3-6-15/h15-16H,1-14H2
InChIKeyLHFZQNWWWDCSBR-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.82
Rot. Bonds4

About 3-[6-(cyclobutanecarbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[6-(cyclobutanecarbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 154579644) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-[6-(cyclobutanecarbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[6-(cyclobutanecarbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID154579644
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name3-[6-(cyclobutanecarbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCC1CN(C(=O)C2CCC2)CC12CCC2)N1CCCC1
InChIInChI=1S/C19H30N2O2/c22-17(20-11-1-2-12-20)8-7-16-13-21(14-19(16)9-4-10-19)18(23)15-5-3-6-15/h15-16H,1-14H2
InChIKeyLHFZQNWWWDCSBR-UHFFFAOYSA-N
XLogP2.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(cyclobutanecarbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[6-(cyclobutanecarbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 154579644) is 3-[6-(cyclobutanecarbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[6-(cyclobutanecarbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[6-(cyclobutanecarbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCC1CN(C(=O)C2CCC2)CC12CCC2)N1CCCC1.
What is the InChIKey of 3-[6-(cyclobutanecarbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is LHFZQNWWWDCSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c22-17(20-11-1-2-12-20)8-7-16-13-21(14-19(16)9-4-10-19)18(23)15-5-3-6-15/h15-16H,1-14H2.
What are the key properties of 3-[6-(cyclobutanecarbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[6-(cyclobutanecarbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 318.46 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(cyclobutanecarbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 154579644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).