3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene

C12H14N2O — CID 90811093

IUPAC3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene
SMILESC1=C(c2ccccc2)NOC12CCNC2
InChIInChI=1S/C12H14N2O/c1-2-4-10(5-3-1)11-8-12(15-14-11)6-7-13-9-12/h1-5,8,13-14H,6-7,9H2
InChIKeyWOAVIWJSOVWYHI-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.29
Rot. Bonds1

About 3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene

3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene (PubChem CID 90811093) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene.

Molecular Properties

Compound Name3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene
PubChem CID90811093
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene
SMILESC1=C(c2ccccc2)NOC12CCNC2
InChIInChI=1S/C12H14N2O/c1-2-4-10(5-3-1)11-8-12(15-14-11)6-7-13-9-12/h1-5,8,13-14H,6-7,9H2
InChIKeyWOAVIWJSOVWYHI-UHFFFAOYSA-N
XLogP1.29
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-Fluorophenyl)ethynyl]-1-oxa-2,7-diazaspiro[4.4]non-3-ene
CID 123496392
4-(1-Oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)benzonitrile
CID 57162482
(3-Phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanamine
CID 57170219
3-(4-Methylphenyl)-5-(pyrrolidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole
CID 57283411
3-Phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene
CID 90757823
7-Benzyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene
CID 90904521
3-Phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene
CID 91077605
3-Phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91310425
3-Benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91503266
3-(2-Phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91595851
6-Methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91614864
3-(2-Phenylethynyl)-1-oxa-2,7-diazaspiro[4.4]non-3-ene
CID 123630922

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene?
The IUPAC name of 3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene (CID 90811093) is 3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene.
What is the SMILES notation for 3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene?
The canonical SMILES for 3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene is C1=C(c2ccccc2)NOC12CCNC2.
What is the InChIKey of 3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene?
The InChIKey is WOAVIWJSOVWYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-4-10(5-3-1)11-8-12(15-14-11)6-7-13-9-12/h1-5,8,13-14H,6-7,9H2.
What are the key properties of 3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene?
3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene has a molecular weight of 202.26 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene is sourced from PubChem (CID 90811093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).