4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)benzonitrile

C14H15N3O — CID 57162482

IUPAC4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)benzonitrile
SMILESN#Cc1ccc(C2=CC3(CCNCC3)ON2)cc1
InChIInChI=1S/C14H15N3O/c15-10-11-1-3-12(4-2-11)13-9-14(18-17-13)5-7-16-8-6-14/h1-4,9,16-17H,5-8H2
InChIKeyCZQFEBJDLUWLOM-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.56
Rot. Bonds1

About 4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)benzonitrile

4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)benzonitrile (PubChem CID 57162482) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)benzonitrile.

Molecular Properties

Compound Name4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)benzonitrile
PubChem CID57162482
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)benzonitrile
SMILESN#Cc1ccc(C2=CC3(CCNCC3)ON2)cc1
InChIInChI=1S/C14H15N3O/c15-10-11-1-3-12(4-2-11)13-9-14(18-17-13)5-7-16-8-6-14/h1-4,9,16-17H,5-8H2
InChIKeyCZQFEBJDLUWLOM-UHFFFAOYSA-N
XLogP1.56
TPSA57.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 3-(4-cyanophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 57249161
3-Phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene
CID 90757823
3-Phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene
CID 90811093
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-2,8-diazaspiro[4.5]dec-3-ene
CID 123962123

Frequently Asked Questions

What is the IUPAC name of 4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)benzonitrile?
The IUPAC name of 4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)benzonitrile (CID 57162482) is 4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)benzonitrile.
What is the SMILES notation for 4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)benzonitrile?
The canonical SMILES for 4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)benzonitrile is N#Cc1ccc(C2=CC3(CCNCC3)ON2)cc1.
What is the InChIKey of 4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)benzonitrile?
The InChIKey is CZQFEBJDLUWLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-10-11-1-3-12(4-2-11)13-9-14(18-17-13)5-7-16-8-6-14/h1-4,9,16-17H,5-8H2.
What are the key properties of 4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)benzonitrile?
4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)benzonitrile has a molecular weight of 241.29 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)benzonitrile is sourced from PubChem (CID 57162482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).