3-(4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C14H18N2O2 — CID 39083051

IUPAC3-(4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCOc1ccc(C2=NOC3(CCNCC3)C2)cc1
InChIInChI=1S/C14H18N2O2/c1-17-12-4-2-11(3-5-12)13-10-14(18-16-13)6-8-15-9-7-14/h2-5,15H,6-10H2,1H3
InChIKeyKISGOZKKLWPJTE-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.94
Rot. Bonds2

About 3-(4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

3-(4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 39083051) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID39083051
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-(4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCOc1ccc(C2=NOC3(CCNCC3)C2)cc1
InChIInChI=1S/C14H18N2O2/c1-17-12-4-2-11(3-5-12)13-10-14(18-16-13)6-8-15-9-7-14/h2-5,15H,6-10H2,1H3
InChIKeyKISGOZKKLWPJTE-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyridin-4-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 39083054
4-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)phenol
CID 136758080
(5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 1364720
3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 2881249
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-methoxyphenyl)carbamate
CID 69279859
4,5-bis(4-methoxyphenyl)-2-(4-methylpiperidin-4-yl)-1,3-oxazole
CID 59486782
3-(3,4-dimethoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-8-one
CID 58115383
(5R,8S)-3-(4-methoxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxylic acid
CID 10992436
CID 134787498
CID 134787498
[3-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 134790637
methyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate;hydrochloride
CID 75412059
3-phenyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 58873306

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-(4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 39083051) is 3-(4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-(4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is COc1ccc(C2=NOC3(CCNCC3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is KISGOZKKLWPJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-17-12-4-2-11(3-5-12)13-10-14(18-16-13)6-8-15-9-7-14/h2-5,15H,6-10H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
3-(4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 246.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 39083051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).