2-phenylazetidine-1-carbaldehyde

C10H11NO — CID 172843566

IUPAC2-phenylazetidine-1-carbaldehyde
SMILESO=CN1CCC1c1ccccc1
InChIInChI=1S/C10H11NO/c12-8-11-7-6-10(11)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2
InChIKeyXCRWAKWWLVUALR-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.59
Rot. Bonds2

About 2-phenylazetidine-1-carbaldehyde

2-phenylazetidine-1-carbaldehyde (PubChem CID 172843566) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-phenylazetidine-1-carbaldehyde.

Molecular Properties

Compound Name2-phenylazetidine-1-carbaldehyde
PubChem CID172843566
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-phenylazetidine-1-carbaldehyde
SMILESO=CN1CCC1c1ccccc1
InChIInChI=1S/C10H11NO/c12-8-11-7-6-10(11)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2
InChIKeyXCRWAKWWLVUALR-UHFFFAOYSA-N
XLogP1.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-phenylpiperidine-1-carbaldehyde
CID 165142016
2-(2-fluorophenyl)-4-phenylpiperidine-1-carbaldehyde
CID 140572402
(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CID 124501094
2-(4-aminophenyl)pyrrolidine-1-carbaldehyde
CID 151121323
2-(3-hydroxyphenyl)pyrrolidine-1-carbaldehyde
CID 174863712
2-(3-methylphenyl)pyrrolidine-1-carbaldehyde;hydrochloride
CID 175371081
4-phenyl-2-propan-2-ylpiperidine-1-carbaldehyde
CID 76543536
1-methyl-2-phenylazetidine
CID 576373
2-phenoxyazetidine-1-carbaldehyde
CID 23148203
4-methyl-3-phenylpiperazine-1-carbaldehyde
CID 175202957
(3S)-3-phenylpyrrolidine-1-carbaldehyde
CID 175059746
2-(6-phenylmethoxy-3-pyridinyl)piperidine-1-carbaldehyde
CID 102539496

Frequently Asked Questions

What is the IUPAC name of 2-phenylazetidine-1-carbaldehyde?
The IUPAC name of 2-phenylazetidine-1-carbaldehyde (CID 172843566) is 2-phenylazetidine-1-carbaldehyde.
What is the SMILES notation for 2-phenylazetidine-1-carbaldehyde?
The canonical SMILES for 2-phenylazetidine-1-carbaldehyde is O=CN1CCC1c1ccccc1.
What is the InChIKey of 2-phenylazetidine-1-carbaldehyde?
The InChIKey is XCRWAKWWLVUALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c12-8-11-7-6-10(11)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2.
What are the key properties of 2-phenylazetidine-1-carbaldehyde?
2-phenylazetidine-1-carbaldehyde has a molecular weight of 161.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylazetidine-1-carbaldehyde is sourced from PubChem (CID 172843566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).