3-cyclopropyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C11H18N2O2 — CID 84781302

IUPAC3-cyclopropyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1OC2(CCCNCC2)CN1C1CC1
InChIInChI=1S/C11H18N2O2/c14-10-13(9-2-3-9)8-11(15-10)4-1-6-12-7-5-11/h9,12H,1-8H2
InChIKeyBJUODVNWUMIMJY-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.11
Rot. Bonds1

About 3-cyclopropyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

3-cyclopropyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 84781302) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-cyclopropyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name3-cyclopropyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID84781302
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-cyclopropyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1OC2(CCCNCC2)CN1C1CC1
InChIInChI=1S/C11H18N2O2/c14-10-13(9-2-3-9)8-11(15-10)4-1-6-12-7-5-11/h9,12H,1-8H2
InChIKeyBJUODVNWUMIMJY-UHFFFAOYSA-N
XLogP1.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 3-cyclopropyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 84781302) is 3-cyclopropyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 3-cyclopropyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 3-cyclopropyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is O=C1OC2(CCCNCC2)CN1C1CC1.
What is the InChIKey of 3-cyclopropyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is BJUODVNWUMIMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-10-13(9-2-3-9)8-11(15-10)4-1-6-12-7-5-11/h9,12H,1-8H2.
What are the key properties of 3-cyclopropyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
3-cyclopropyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 210.28 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 84781302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).