6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene

C14H18N2O — CID 91614864

IUPAC6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
SMILESCC1CNCCC12C=C(c1ccccc1)NO2
InChIInChI=1S/C14H18N2O/c1-11-10-15-8-7-14(11)9-13(16-17-14)12-5-3-2-4-6-12/h2-6,9,11,15-16H,7-8,10H2,1H3
InChIKeyNRLYBWUKXVJJLL-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.93
Rot. Bonds1

About 6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene

6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene (PubChem CID 91614864) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
PubChem CID91614864
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
SMILESCC1CNCCC12C=C(c1ccccc1)NO2
InChIInChI=1S/C14H18N2O/c1-11-10-15-8-7-14(11)9-13(16-17-14)12-5-3-2-4-6-12/h2-6,9,11,15-16H,7-8,10H2,1H3
InChIKeyNRLYBWUKXVJJLL-UHFFFAOYSA-N
XLogP1.93
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-Oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)benzonitrile
CID 57162482
O-[(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)] N-cyclooctylcarbamothioate
CID 90728388
3-Phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene
CID 90757823
N-(cyclohexylmethyl)-3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carbothioamide
CID 90766754
O-[(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)] N-cyclohexylcarbamothioate
CID 90768750
3-Phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene
CID 90811093
3-(4-Chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 90822069
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-cyclohexylcarbamate
CID 90829383
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-phenylethyl)carbamate
CID 90854688
O-[(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)] N-(cyclohexylmethyl)carbamothioate
CID 90952247
8-Benzyl-3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91070069
Tert-butyl 3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 91071216

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
The IUPAC name of 6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene (CID 91614864) is 6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene.
What is the SMILES notation for 6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
The canonical SMILES for 6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene is CC1CNCCC12C=C(c1ccccc1)NO2.
What is the InChIKey of 6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
The InChIKey is NRLYBWUKXVJJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-10-15-8-7-14(11)9-13(16-17-14)12-5-3-2-4-6-12/h2-6,9,11,15-16H,7-8,10H2,1H3.
What are the key properties of 6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene has a molecular weight of 230.31 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene is sourced from PubChem (CID 91614864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).