4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-hydroxybenzaldehyde

C14H18N2O2 — CID 171103032

IUPAC4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-hydroxybenzaldehyde
SMILESO=Cc1ccc(N2CCC3(CCNC3)C2)cc1O
InChIInChI=1S/C14H18N2O2/c17-8-11-1-2-12(7-13(11)18)16-6-4-14(10-16)3-5-15-9-14/h1-2,7-8,15,18H,3-6,9-10H2
InChIKeyFXFOVIHCABHIJS-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.39
Rot. Bonds2

About 4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-hydroxybenzaldehyde

4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-hydroxybenzaldehyde (PubChem CID 171103032) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-hydroxybenzaldehyde
PubChem CID171103032
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-hydroxybenzaldehyde
SMILESO=Cc1ccc(N2CCC3(CCNC3)C2)cc1O
InChIInChI=1S/C14H18N2O2/c17-8-11-1-2-12(7-13(11)18)16-6-4-14(10-16)3-5-15-9-14/h1-2,7-8,15,18H,3-6,9-10H2
InChIKeyFXFOVIHCABHIJS-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-hydroxybenzaldehyde?
The IUPAC name of 4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-hydroxybenzaldehyde (CID 171103032) is 4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-hydroxybenzaldehyde.
What is the SMILES notation for 4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-hydroxybenzaldehyde?
The canonical SMILES for 4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-hydroxybenzaldehyde is O=Cc1ccc(N2CCC3(CCNC3)C2)cc1O.
What is the InChIKey of 4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-hydroxybenzaldehyde?
The InChIKey is FXFOVIHCABHIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-8-11-1-2-12(7-13(11)18)16-6-4-14(10-16)3-5-15-9-14/h1-2,7-8,15,18H,3-6,9-10H2.
What are the key properties of 4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-hydroxybenzaldehyde?
4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-hydroxybenzaldehyde has a molecular weight of 246.31 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-hydroxybenzaldehyde is sourced from PubChem (CID 171103032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).