3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C14H18N2O — CID 59830365

IUPAC3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESc1ccc(CC2=NOC3(CCNCC3)C2)cc1
InChIInChI=1S/C14H18N2O/c1-2-4-12(5-3-1)10-13-11-14(17-16-13)6-8-15-9-7-14/h1-5,15H,6-11H2
InChIKeyOUPXENIMHHMSOH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.13
Rot. Bonds2

About 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 59830365) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID59830365
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESc1ccc(CC2=NOC3(CCNCC3)C2)cc1
InChIInChI=1S/C14H18N2O/c1-2-4-12(5-3-1)10-13-11-14(17-16-13)6-8-15-9-7-14/h1-5,15H,6-11H2
InChIKeyOUPXENIMHHMSOH-UHFFFAOYSA-N
XLogP2.13
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 59830365) is 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is c1ccc(CC2=NOC3(CCNCC3)C2)cc1.
What is the InChIKey of 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is OUPXENIMHHMSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-4-12(5-3-1)10-13-11-14(17-16-13)6-8-15-9-7-14/h1-5,15H,6-11H2.
What are the key properties of 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 230.31 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 59830365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).