2-[(5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]acetaldehyde

C11H17NO — CID 90441070

IUPAC2-[(5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]acetaldehyde
SMILESO=CCC1C2CC3C[C@H]1CN(C3)C2
InChIInChI=1S/C11H17NO/c13-2-1-11-9-3-8-4-10(11)7-12(5-8)6-9/h2,8-11H,1,3-7H2/t8?,9-,10?,11?/m0/s1
InChIKeyYSHKTXIHDZHKTH-ZQOALKFFSA-N
MW179.26 g/mol
LogP1.16
Rot. Bonds2

About 2-[(5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]acetaldehyde

2-[(5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]acetaldehyde (PubChem CID 90441070) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-[(5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]acetaldehyde
PubChem CID90441070
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-[(5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]acetaldehyde
SMILESO=CCC1C2CC3C[C@H]1CN(C3)C2
InChIInChI=1S/C11H17NO/c13-2-1-11-9-3-8-4-10(11)7-12(5-8)6-9/h2,8-11H,1,3-7H2/t8?,9-,10?,11?/m0/s1
InChIKeyYSHKTXIHDZHKTH-ZQOALKFFSA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]acetaldehyde?
The IUPAC name of 2-[(5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]acetaldehyde (CID 90441070) is 2-[(5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]acetaldehyde.
What is the SMILES notation for 2-[(5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]acetaldehyde?
The canonical SMILES for 2-[(5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]acetaldehyde is O=CCC1C2CC3C[C@H]1CN(C3)C2.
What is the InChIKey of 2-[(5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]acetaldehyde?
The InChIKey is YSHKTXIHDZHKTH-ZQOALKFFSA-N. The full InChI is InChI=1S/C11H17NO/c13-2-1-11-9-3-8-4-10(11)7-12(5-8)6-9/h2,8-11H,1,3-7H2/t8?,9-,10?,11?/m0/s1.
What are the key properties of 2-[(5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]acetaldehyde?
2-[(5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]acetaldehyde has a molecular weight of 179.26 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]acetaldehyde is sourced from PubChem (CID 90441070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).