4-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)phenol

C12H14N2O2 — CID 136758080

IUPAC4-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)phenol
SMILESOc1ccc(C2=NOC3(CCNC3)C2)cc1
InChIInChI=1S/C12H14N2O2/c15-10-3-1-9(2-4-10)11-7-12(16-14-11)5-6-13-8-12/h1-4,13,15H,5-8H2
InChIKeyOSGCNNKYYQLMEY-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.25
Rot. Bonds1

About 4-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)phenol

4-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)phenol (PubChem CID 136758080) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)phenol.

Molecular Properties

Compound Name4-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)phenol
PubChem CID136758080
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)phenol
SMILESOc1ccc(C2=NOC3(CCNC3)C2)cc1
InChIInChI=1S/C12H14N2O2/c15-10-3-1-9(2-4-10)11-7-12(16-14-11)5-6-13-8-12/h1-4,13,15H,5-8H2
InChIKeyOSGCNNKYYQLMEY-UHFFFAOYSA-N
XLogP1.25
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)phenol?
The IUPAC name of 4-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)phenol (CID 136758080) is 4-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)phenol.
What is the SMILES notation for 4-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)phenol?
The canonical SMILES for 4-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)phenol is Oc1ccc(C2=NOC3(CCNC3)C2)cc1.
What is the InChIKey of 4-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)phenol?
The InChIKey is OSGCNNKYYQLMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-10-3-1-9(2-4-10)11-7-12(16-14-11)5-6-13-8-12/h1-4,13,15H,5-8H2.
What are the key properties of 4-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)phenol?
4-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)phenol has a molecular weight of 218.26 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)phenol is sourced from PubChem (CID 136758080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).