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

C13H17NO2 — CID 131071412

IUPAC2-(3-phenylmethoxypyrrolidin-1-yl)acetaldehyde
SMILESO=CCN1CCC(OCc2ccccc2)C1
InChIInChI=1S/C13H17NO2/c15-9-8-14-7-6-13(10-14)16-11-12-4-2-1-3-5-12/h1-5,9,13H,6-8,10-11H2
InChIKeyBVWKPMXMRUSIQQ-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.48
Rot. Bonds5

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

2-(3-phenylmethoxypyrrolidin-1-yl)acetaldehyde (PubChem CID 131071412) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(3-phenylmethoxypyrrolidin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-phenylmethoxypyrrolidin-1-yl)acetaldehyde
PubChem CID131071412
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(3-phenylmethoxypyrrolidin-1-yl)acetaldehyde
SMILESO=CCN1CCC(OCc2ccccc2)C1
InChIInChI=1S/C13H17NO2/c15-9-8-14-7-6-13(10-14)16-11-12-4-2-1-3-5-12/h1-5,9,13H,6-8,10-11H2
InChIKeyBVWKPMXMRUSIQQ-UHFFFAOYSA-N
XLogP1.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenylmethoxy-1-prop-2-enylpiperidine
CID 57075697
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
1-benzyl-4-phenylmethoxypiperidine;hydrochloride
CID 18919828
2-[(4-phenylmethoxypiperidin-1-yl)methyl]isoindole-1,3-dione
CID 17416201
2-(4-phenylmethoxypiperidin-1-yl)pyrimidine
CID 95811444
4-phenylmethoxypiperidine-1-sulfonic acid
CID 174878483
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol
CID 59422481
(1R)-2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol
CID 126658683
2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine
CID 94894903
1-benzyl-3-(2-methylpropoxy)pyrrolidine
CID 67473333
2-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]acetamide
CID 96558813

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylmethoxypyrrolidin-1-yl)acetaldehyde?
The IUPAC name of 2-(3-phenylmethoxypyrrolidin-1-yl)acetaldehyde (CID 131071412) is 2-(3-phenylmethoxypyrrolidin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(3-phenylmethoxypyrrolidin-1-yl)acetaldehyde?
The canonical SMILES for 2-(3-phenylmethoxypyrrolidin-1-yl)acetaldehyde is O=CCN1CCC(OCc2ccccc2)C1.
What is the InChIKey of 2-(3-phenylmethoxypyrrolidin-1-yl)acetaldehyde?
The InChIKey is BVWKPMXMRUSIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-9-8-14-7-6-13(10-14)16-11-12-4-2-1-3-5-12/h1-5,9,13H,6-8,10-11H2.
What are the key properties of 2-(3-phenylmethoxypyrrolidin-1-yl)acetaldehyde?
2-(3-phenylmethoxypyrrolidin-1-yl)acetaldehyde has a molecular weight of 219.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylmethoxypyrrolidin-1-yl)acetaldehyde is sourced from PubChem (CID 131071412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).