7-(hydroxymethyl)-2-phenyl-1,3-diazaspiro[4.4]non-2-ene-8,9-diol

C14H18N2O3 — CID 90820997

IUPAC7-(hydroxymethyl)-2-phenyl-1,3-diazaspiro[4.4]non-2-ene-8,9-diol
SMILESOCC1CC2(CN=C(c3ccccc3)N2)C(O)C1O
InChIInChI=1S/C14H18N2O3/c17-7-10-6-14(12(19)11(10)18)8-15-13(16-14)9-4-2-1-3-5-9/h1-5,10-12,17-19H,6-8H2,(H,15,16)
InChIKeyRPFWVSNBQVJQCK-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.49
Rot. Bonds2

About 7-(hydroxymethyl)-2-phenyl-1,3-diazaspiro[4.4]non-2-ene-8,9-diol

7-(hydroxymethyl)-2-phenyl-1,3-diazaspiro[4.4]non-2-ene-8,9-diol (PubChem CID 90820997) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 7-(hydroxymethyl)-2-phenyl-1,3-diazaspiro[4.4]non-2-ene-8,9-diol.

Molecular Properties

Compound Name7-(hydroxymethyl)-2-phenyl-1,3-diazaspiro[4.4]non-2-ene-8,9-diol
PubChem CID90820997
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name7-(hydroxymethyl)-2-phenyl-1,3-diazaspiro[4.4]non-2-ene-8,9-diol
SMILESOCC1CC2(CN=C(c3ccccc3)N2)C(O)C1O
InChIInChI=1S/C14H18N2O3/c17-7-10-6-14(12(19)11(10)18)8-15-13(16-14)9-4-2-1-3-5-9/h1-5,10-12,17-19H,6-8H2,(H,15,16)
InChIKeyRPFWVSNBQVJQCK-UHFFFAOYSA-N
XLogP-0.49
TPSA85.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,5,5-triphenyl-1,4-dihydroimidazole
CID 22054806
(5R,7R,8S,9R)-1,3-dibenzyl-8,9-dihydroxy-7-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 11246468
4,4,6,6-tetrafluoro-2-phenyl-1,5-dihydropyrimidine
CID 141467271
2-(5-methyl-2-phenyl-1,4-dihydroimidazol-5-yl)propanenitrile
CID 141309981
(1S,2S,3S)-2,3-bis(hydroxymethyl)-1-phenylcyclobutan-1-ol
CID 10560294
(3R,4R,5R)-5-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4-diol
CID 67508584
2-(3-bromophenyl)-5,5-diphenyl-1,4-dihydroimidazole
CID 139909401
2-(3-chlorophenyl)-5,5-diphenyl-1,4-dihydroimidazole
CID 139909403
6,6-dimethyl-3-phenyl-1,4,5,7-tetrahydroindazol-4-ol
CID 66489150
2-hydroxy-5-phenyl-1,3-dihydro-1,2,4-triazole
CID 174990596
[(1S,2S)-2-[(1R,2S)-2-phenylcyclopropyl]cyclopropyl]methanol
CID 11137881
(3S,4R)-4-(hydroxymethyl)-1-[(5-phenyl-2H-triazol-4-yl)methyl]piperidin-3-ol
CID 155496897

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-2-phenyl-1,3-diazaspiro[4.4]non-2-ene-8,9-diol?
The IUPAC name of 7-(hydroxymethyl)-2-phenyl-1,3-diazaspiro[4.4]non-2-ene-8,9-diol (CID 90820997) is 7-(hydroxymethyl)-2-phenyl-1,3-diazaspiro[4.4]non-2-ene-8,9-diol.
What is the SMILES notation for 7-(hydroxymethyl)-2-phenyl-1,3-diazaspiro[4.4]non-2-ene-8,9-diol?
The canonical SMILES for 7-(hydroxymethyl)-2-phenyl-1,3-diazaspiro[4.4]non-2-ene-8,9-diol is OCC1CC2(CN=C(c3ccccc3)N2)C(O)C1O.
What is the InChIKey of 7-(hydroxymethyl)-2-phenyl-1,3-diazaspiro[4.4]non-2-ene-8,9-diol?
The InChIKey is RPFWVSNBQVJQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-7-10-6-14(12(19)11(10)18)8-15-13(16-14)9-4-2-1-3-5-9/h1-5,10-12,17-19H,6-8H2,(H,15,16).
What are the key properties of 7-(hydroxymethyl)-2-phenyl-1,3-diazaspiro[4.4]non-2-ene-8,9-diol?
7-(hydroxymethyl)-2-phenyl-1,3-diazaspiro[4.4]non-2-ene-8,9-diol has a molecular weight of 262.31 g/mol, XLogP of -0.49, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-2-phenyl-1,3-diazaspiro[4.4]non-2-ene-8,9-diol is sourced from PubChem (CID 90820997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).