2-phenoxypyrrolidine-1-carbaldehyde

C11H13NO2 — CID 173088295

IUPAC2-phenoxypyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1Oc1ccccc1
InChIInChI=1S/C11H13NO2/c13-9-12-8-4-7-11(12)14-10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8H2
InChIKeyZCFMSUSOFCNAKQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.64
Rot. Bonds3

About 2-phenoxypyrrolidine-1-carbaldehyde

2-phenoxypyrrolidine-1-carbaldehyde (PubChem CID 173088295) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-phenoxypyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-phenoxypyrrolidine-1-carbaldehyde
PubChem CID173088295
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-phenoxypyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1Oc1ccccc1
InChIInChI=1S/C11H13NO2/c13-9-12-8-4-7-11(12)14-10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8H2
InChIKeyZCFMSUSOFCNAKQ-UHFFFAOYSA-N
XLogP1.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-phenoxypyrrolidine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenoxyazetidine-1-carbaldehyde
CID 23148203
2-phenoxypiperidine-1-carboxamide
CID 140622685
2-benzhydrylpyrrolidine-1-carbaldehyde
CID 87629183
3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde;benzaldehyde
CID 159316348
2-phenylazetidine-1-carbaldehyde
CID 172843566
ethane;1-methyl-3-phenoxypiperidine
CID 176561362
(3S)-3-phenoxy-1-phenylpiperidine
CID 153196970
2-ethoxypiperidine-1-carbaldehyde
CID 87544079
2-phenoxycyclopentane-1-thiol
CID 130451527
phenyl (2S)-2-methoxypyrrolidine-1-carboxylate
CID 129388318
4-phenyl-2-propylazepane-1-carbaldehyde
CID 87562749
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730

Frequently Asked Questions

What is the IUPAC name of 2-phenoxypyrrolidine-1-carbaldehyde?
The IUPAC name of 2-phenoxypyrrolidine-1-carbaldehyde (CID 173088295) is 2-phenoxypyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2-phenoxypyrrolidine-1-carbaldehyde?
The canonical SMILES for 2-phenoxypyrrolidine-1-carbaldehyde is O=CN1CCCC1Oc1ccccc1.
What is the InChIKey of 2-phenoxypyrrolidine-1-carbaldehyde?
The InChIKey is ZCFMSUSOFCNAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-9-12-8-4-7-11(12)14-10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8H2.
What are the key properties of 2-phenoxypyrrolidine-1-carbaldehyde?
2-phenoxypyrrolidine-1-carbaldehyde has a molecular weight of 191.23 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxypyrrolidine-1-carbaldehyde is sourced from PubChem (CID 173088295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).