3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxane-3-carbaldehyde

C15H23NO3 — CID 114247767

IUPAC3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxane-3-carbaldehyde
SMILESO=CC1(CN2CC3CC4CC3C2C4O)CCCOC1
InChIInChI=1S/C15H23NO3/c17-8-15(2-1-3-19-9-15)7-16-6-11-4-10-5-12(11)13(16)14(10)18/h8,10-14,18H,1-7,9H2
InChIKeyDYXZRIFKNANTFM-UHFFFAOYSA-N
MW265.35 g/mol
LogP0.68
Rot. Bonds3

About 3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxane-3-carbaldehyde

3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxane-3-carbaldehyde (PubChem CID 114247767) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxane-3-carbaldehyde.

Molecular Properties

Compound Name3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxane-3-carbaldehyde
PubChem CID114247767
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxane-3-carbaldehyde
SMILESO=CC1(CN2CC3CC4CC3C2C4O)CCCOC1
InChIInChI=1S/C15H23NO3/c17-8-15(2-1-3-19-9-15)7-16-6-11-4-10-5-12(11)13(16)14(10)18/h8,10-14,18H,1-7,9H2
InChIKeyDYXZRIFKNANTFM-UHFFFAOYSA-N
XLogP0.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxane-3-carbaldehyde with MolForge

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Related Compounds

Ethyl 3-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)butanoate
CID 114247497
4-(Oxan-4-ylmethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
CID 114247640
4-(Oxan-2-ylmethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
CID 114247644
1-[(2-Hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]cyclopentane-1-carbaldehyde
CID 114247761
3-[(2-Hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxolane-3-carbaldehyde
CID 114247768
3-(2-Hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propanal
CID 130494982

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxane-3-carbaldehyde?
The IUPAC name of 3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxane-3-carbaldehyde (CID 114247767) is 3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxane-3-carbaldehyde.
What is the SMILES notation for 3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxane-3-carbaldehyde?
The canonical SMILES for 3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxane-3-carbaldehyde is O=CC1(CN2CC3CC4CC3C2C4O)CCCOC1.
What is the InChIKey of 3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxane-3-carbaldehyde?
The InChIKey is DYXZRIFKNANTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c17-8-15(2-1-3-19-9-15)7-16-6-11-4-10-5-12(11)13(16)14(10)18/h8,10-14,18H,1-7,9H2.
What are the key properties of 3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxane-3-carbaldehyde?
3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxane-3-carbaldehyde has a molecular weight of 265.35 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxane-3-carbaldehyde is sourced from PubChem (CID 114247767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).