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

C19H20N2O — CID 90904521

IUPAC7-benzyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene
SMILESC1=C(c2ccccc2)NOC12CCN(Cc1ccccc1)C2
InChIInChI=1S/C19H20N2O/c1-3-7-16(8-4-1)14-21-12-11-19(15-21)13-18(20-22-19)17-9-5-2-6-10-17/h1-10,13,20H,11-12,14-15H2
InChIKeyRMKBGLRSYKDHMM-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.21
Rot. Bonds3

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

7-benzyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene (PubChem CID 90904521) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 7-benzyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene.

Molecular Properties

Compound Name7-benzyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene
PubChem CID90904521
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name7-benzyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene
SMILESC1=C(c2ccccc2)NOC12CCN(Cc1ccccc1)C2
InChIInChI=1S/C19H20N2O/c1-3-7-16(8-4-1)14-21-12-11-19(15-21)13-18(20-22-19)17-9-5-2-6-10-17/h1-10,13,20H,11-12,14-15H2
InChIKeyRMKBGLRSYKDHMM-UHFFFAOYSA-N
XLogP3.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Methylphenyl)-5-(pyrrolidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole
CID 57283411
3-Phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene
CID 90811093
8-Benzyl-6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91205266
3-Phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91310425
9-Benzyl-3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene
CID 91554495

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene?
The IUPAC name of 7-benzyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene (CID 90904521) is 7-benzyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene.
What is the SMILES notation for 7-benzyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene?
The canonical SMILES for 7-benzyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene is C1=C(c2ccccc2)NOC12CCN(Cc1ccccc1)C2.
What is the InChIKey of 7-benzyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene?
The InChIKey is RMKBGLRSYKDHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-3-7-16(8-4-1)14-21-12-11-19(15-21)13-18(20-22-19)17-9-5-2-6-10-17/h1-10,13,20H,11-12,14-15H2.
What are the key properties of 7-benzyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene?
7-benzyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene has a molecular weight of 292.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene is sourced from PubChem (CID 90904521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).