2-(1-benzhydrylazetidin-3-yl)acetaldehyde

C18H19NO — CID 58739272

IUPAC2-(1-benzhydrylazetidin-3-yl)acetaldehyde
SMILESO=CCC1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H19NO/c20-12-11-15-13-19(14-15)18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,12,15,18H,11,13-14H2
InChIKeyGJTFUNAKTHHRIG-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.30
Rot. Bonds5

About 2-(1-benzhydrylazetidin-3-yl)acetaldehyde

2-(1-benzhydrylazetidin-3-yl)acetaldehyde (PubChem CID 58739272) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(1-benzhydrylazetidin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-benzhydrylazetidin-3-yl)acetaldehyde
PubChem CID58739272
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-(1-benzhydrylazetidin-3-yl)acetaldehyde
SMILESO=CCC1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H19NO/c20-12-11-15-13-19(14-15)18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,12,15,18H,11,13-14H2
InChIKeyGJTFUNAKTHHRIG-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.30
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-(1-benzhydrylazetidin-3-yl)acetaldehyde?
The IUPAC name of 2-(1-benzhydrylazetidin-3-yl)acetaldehyde (CID 58739272) is 2-(1-benzhydrylazetidin-3-yl)acetaldehyde.
What is the SMILES notation for 2-(1-benzhydrylazetidin-3-yl)acetaldehyde?
The canonical SMILES for 2-(1-benzhydrylazetidin-3-yl)acetaldehyde is O=CCC1CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 2-(1-benzhydrylazetidin-3-yl)acetaldehyde?
The InChIKey is GJTFUNAKTHHRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c20-12-11-15-13-19(14-15)18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,12,15,18H,11,13-14H2.
What are the key properties of 2-(1-benzhydrylazetidin-3-yl)acetaldehyde?
2-(1-benzhydrylazetidin-3-yl)acetaldehyde has a molecular weight of 265.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzhydrylazetidin-3-yl)acetaldehyde is sourced from PubChem (CID 58739272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).