1-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]cyclopentane-1-carbaldehyde

C15H23NO2 — CID 114247761

IUPAC1-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]cyclopentane-1-carbaldehyde
SMILESO=CC1(CN2CC3CC4CC3C2C4O)CCCC1
InChIInChI=1S/C15H23NO2/c17-9-15(3-1-2-4-15)8-16-7-11-5-10-6-12(11)13(16)14(10)18/h9-14,18H,1-8H2
InChIKeyAOWYOVCNJZKVBZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.45
Rot. Bonds3

About 1-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]cyclopentane-1-carbaldehyde

1-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]cyclopentane-1-carbaldehyde (PubChem CID 114247761) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]cyclopentane-1-carbaldehyde
PubChem CID114247761
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]cyclopentane-1-carbaldehyde
SMILESO=CC1(CN2CC3CC4CC3C2C4O)CCCC1
InChIInChI=1S/C15H23NO2/c17-9-15(3-1-2-4-15)8-16-7-11-5-10-6-12(11)13(16)14(10)18/h9-14,18H,1-8H2
InChIKeyAOWYOVCNJZKVBZ-UHFFFAOYSA-N
XLogP1.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]cyclopentane-1-carbaldehyde (CID 114247761) is 1-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]cyclopentane-1-carbaldehyde is O=CC1(CN2CC3CC4CC3C2C4O)CCCC1.
What is the InChIKey of 1-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]cyclopentane-1-carbaldehyde?
The InChIKey is AOWYOVCNJZKVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c17-9-15(3-1-2-4-15)8-16-7-11-5-10-6-12(11)13(16)14(10)18/h9-14,18H,1-8H2.
What are the key properties of 1-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]cyclopentane-1-carbaldehyde?
1-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]cyclopentane-1-carbaldehyde has a molecular weight of 249.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 114247761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).