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

C14H18N2O2 — CID 70579481

IUPAC2-phenylmethoxy-1-oxa-3,8-diazaspiro[4.5]dec-2-ene
SMILESc1ccc(COC2=NCC3(CCNCC3)O2)cc1
InChIInChI=1S/C14H18N2O2/c1-2-4-12(5-3-1)10-17-13-16-11-14(18-13)6-8-15-9-7-14/h1-5,15H,6-11H2
InChIKeyGGSCKTWZQWLJKW-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.71
Rot. Bonds2

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

2-phenylmethoxy-1-oxa-3,8-diazaspiro[4.5]dec-2-ene (PubChem CID 70579481) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-phenylmethoxy-1-oxa-3,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name2-phenylmethoxy-1-oxa-3,8-diazaspiro[4.5]dec-2-ene
PubChem CID70579481
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-phenylmethoxy-1-oxa-3,8-diazaspiro[4.5]dec-2-ene
SMILESc1ccc(COC2=NCC3(CCNCC3)O2)cc1
InChIInChI=1S/C14H18N2O2/c1-2-4-12(5-3-1)10-17-13-16-11-14(18-13)6-8-15-9-7-14/h1-5,15H,6-11H2
InChIKeyGGSCKTWZQWLJKW-UHFFFAOYSA-N
XLogP1.71
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-phenylmethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 82045706
4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane
CID 86820394
3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 59830365
4-(2-oxo-2-phenylmethoxyethyl)piperidine-4-carboxylic acid
CID 174550650
benzyl 6-azaspiro[2.5]octane-2-carboxylate
CID 163299046
3,6-bis(phenylmethoxy)pyridazine
CID 68982842
4-[(2-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride
CID 164512463
1-(2-phenylmethoxyphenyl)sulfonylpiperazine
CID 70053315
(2S)-2-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13-pentazacyclopentadecane
CID 15386758
N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-phenylmethoxy-2-pyridinyl)methanamine
CID 141082230
2-phenylmethoxybenzene-1,3-diol
CID 15652625
2-[(2-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 56716924

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-1-oxa-3,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 2-phenylmethoxy-1-oxa-3,8-diazaspiro[4.5]dec-2-ene (CID 70579481) is 2-phenylmethoxy-1-oxa-3,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 2-phenylmethoxy-1-oxa-3,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 2-phenylmethoxy-1-oxa-3,8-diazaspiro[4.5]dec-2-ene is c1ccc(COC2=NCC3(CCNCC3)O2)cc1.
What is the InChIKey of 2-phenylmethoxy-1-oxa-3,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is GGSCKTWZQWLJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-4-12(5-3-1)10-17-13-16-11-14(18-13)6-8-15-9-7-14/h1-5,15H,6-11H2.
What are the key properties of 2-phenylmethoxy-1-oxa-3,8-diazaspiro[4.5]dec-2-ene?
2-phenylmethoxy-1-oxa-3,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 246.31 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-1-oxa-3,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 70579481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).