2-(cyclobutylmethyl)-2,8-diazaspiro[4.5]decan-1-one

C13H22N2O — CID 97449175

IUPAC2-(cyclobutylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(CC2CCC2)CCC12CCNCC2
InChIInChI=1S/C13H22N2O/c16-12-13(4-7-14-8-5-13)6-9-15(12)10-11-2-1-3-11/h11,14H,1-10H2
InChIKeySSKZPBFOBXWLON-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.39
Rot. Bonds2

About 2-(cyclobutylmethyl)-2,8-diazaspiro[4.5]decan-1-one

2-(cyclobutylmethyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97449175) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97449175
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(cyclobutylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(CC2CCC2)CCC12CCNCC2
InChIInChI=1S/C13H22N2O/c16-12-13(4-7-14-8-5-13)6-9-15(12)10-11-2-1-3-11/h11,14H,1-10H2
InChIKeySSKZPBFOBXWLON-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(cyclobutylmethyl)-2,8-diazaspiro[4.5]decan-1-one (CID 97449175) is 2-(cyclobutylmethyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(cyclobutylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(cyclobutylmethyl)-2,8-diazaspiro[4.5]decan-1-one is O=C1N(CC2CCC2)CCC12CCNCC2.
What is the InChIKey of 2-(cyclobutylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is SSKZPBFOBXWLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c16-12-13(4-7-14-8-5-13)6-9-15(12)10-11-2-1-3-11/h11,14H,1-10H2.
What are the key properties of 2-(cyclobutylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
2-(cyclobutylmethyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 222.33 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97449175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).