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

C14H18N2O — CID 91503266

IUPAC3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
SMILESC1=C(Cc2ccccc2)NOC12CCNCC2
InChIInChI=1S/C14H18N2O/c1-2-4-12(5-3-1)10-13-11-14(17-16-13)6-8-15-9-7-14/h1-5,11,15-16H,6-10H2
InChIKeyUHZFEXHKGQDHKG-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.77
Rot. Bonds2

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

3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene (PubChem CID 91503266) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
PubChem CID91503266
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
SMILESC1=C(Cc2ccccc2)NOC12CCNCC2
InChIInChI=1S/C14H18N2O/c1-2-4-12(5-3-1)10-13-11-14(17-16-13)6-8-15-9-7-14/h1-5,11,15-16H,6-10H2
InChIKeyUHZFEXHKGQDHKG-UHFFFAOYSA-N
XLogP1.77
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-Oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)benzonitrile
CID 57162482
3-Benzyl-1-oxidopiperazin-1-ium
CID 88677092
Tert-butyl 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 90704272
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
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-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-phenylethyl)carbamate
CID 90854688
3-Bromo-8-(3-phenylpropyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 90871222
3-Bromo-8-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 90949097
O-[(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)] N-(cyclohexylmethyl)carbamothioate
CID 90952247
Tert-butyl 3-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 91076917

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
The IUPAC name of 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene (CID 91503266) is 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene.
What is the SMILES notation for 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
The canonical SMILES for 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene is C1=C(Cc2ccccc2)NOC12CCNCC2.
What is the InChIKey of 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
The InChIKey is UHZFEXHKGQDHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-4-12(5-3-1)10-13-11-14(17-16-13)6-8-15-9-7-14/h1-5,11,15-16H,6-10H2.
What are the key properties of 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene has a molecular weight of 230.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene is sourced from PubChem (CID 91503266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).