cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone

C12H20N2O2 — CID 97449215

IUPACcyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(C1CC1)N1CCOC2(CCNCC2)C1
InChIInChI=1S/C12H20N2O2/c15-11(10-1-2-10)14-7-8-16-12(9-14)3-5-13-6-4-12/h10,13H,1-9H2
InChIKeyBBGTYDCKQDUEDI-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.38
Rot. Bonds1

About cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone

cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone (PubChem CID 97449215) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Namecyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
PubChem CID97449215
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Namecyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(C1CC1)N1CCOC2(CCNCC2)C1
InChIInChI=1S/C12H20N2O2/c15-11(10-1-2-10)14-7-8-16-12(9-14)3-5-13-6-4-12/h10,13H,1-9H2
InChIKeyBBGTYDCKQDUEDI-UHFFFAOYSA-N
XLogP0.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone (CID 97449215) is cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone is O=C(C1CC1)N1CCOC2(CCNCC2)C1.
What is the InChIKey of cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is BBGTYDCKQDUEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-11(10-1-2-10)14-7-8-16-12(9-14)3-5-13-6-4-12/h10,13H,1-9H2.
What are the key properties of cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone?
cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 224.30 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 97449215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).