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

C14H21NO3 — CID 114247768

IUPAC3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxolane-3-carbaldehyde
SMILESO=CC1(CN2CC3CC4CC3C2C4O)CCOC1
InChIInChI=1S/C14H21NO3/c16-7-14(1-2-18-8-14)6-15-5-10-3-9-4-11(10)12(15)13(9)17/h7,9-13,17H,1-6,8H2
InChIKeyFAYCEQVLAUHGGW-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.29
Rot. Bonds3

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

3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxolane-3-carbaldehyde (PubChem CID 114247768) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxolane-3-carbaldehyde
PubChem CID114247768
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxolane-3-carbaldehyde
SMILESO=CC1(CN2CC3CC4CC3C2C4O)CCOC1
InChIInChI=1S/C14H21NO3/c16-7-14(1-2-18-8-14)6-15-5-10-3-9-4-11(10)12(15)13(9)17/h7,9-13,17H,1-6,8H2
InChIKeyFAYCEQVLAUHGGW-UHFFFAOYSA-N
XLogP0.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.29
H-Bond Donors ≤ 51
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 3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxolane-3-carbaldehyde (CID 114247768) is 3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxolane-3-carbaldehyde is O=CC1(CN2CC3CC4CC3C2C4O)CCOC1.
What is the InChIKey of 3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxolane-3-carbaldehyde?
The InChIKey is FAYCEQVLAUHGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c16-7-14(1-2-18-8-14)6-15-5-10-3-9-4-11(10)12(15)13(9)17/h7,9-13,17H,1-6,8H2.
What are the key properties of 3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxolane-3-carbaldehyde?
3-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]oxolane-3-carbaldehyde has a molecular weight of 251.33 g/mol, XLogP of 0.29, 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]oxolane-3-carbaldehyde is sourced from PubChem (CID 114247768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).