3-pyrrolidin-3-yloxybenzaldehyde

C11H13NO2 — CID 87190134

IUPAC3-pyrrolidin-3-yloxybenzaldehyde
SMILESO=Cc1cccc(OC2CCNC2)c1
InChIInChI=1S/C11H13NO2/c13-8-9-2-1-3-10(6-9)14-11-4-5-12-7-11/h1-3,6,8,11-12H,4-5,7H2
InChIKeyFYCMRJYWXNANFB-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.24
Rot. Bonds3

About 3-pyrrolidin-3-yloxybenzaldehyde

3-pyrrolidin-3-yloxybenzaldehyde (PubChem CID 87190134) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-pyrrolidin-3-yloxybenzaldehyde.

Molecular Properties

Compound Name3-pyrrolidin-3-yloxybenzaldehyde
PubChem CID87190134
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-pyrrolidin-3-yloxybenzaldehyde
SMILESO=Cc1cccc(OC2CCNC2)c1
InChIInChI=1S/C11H13NO2/c13-8-9-2-1-3-10(6-9)14-11-4-5-12-7-11/h1-3,6,8,11-12H,4-5,7H2
InChIKeyFYCMRJYWXNANFB-UHFFFAOYSA-N
XLogP1.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 74892056
3-pyrrolidin-3-yloxyphenol
CID 83482218
(3R)-3-(3-methylphenoxy)pyrrolidine
CID 24795651
3-(3-methylphenoxy)pyrrolidine
CID 18337170
3-(oxetan-3-yloxy)benzaldehyde
CID 83482101
(3S)-3-(3-ethylphenoxy)pyrrolidine
CID 26192115
3-(3,5-dimethylcyclohexyl)oxybenzaldehyde
CID 64736330
CID 59418392
CID 59418392
2-pyrrolidin-3-yloxyfluoren-9-one
CID 67162742
3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 70102226
(3S)-3-(4-fluorophenoxy)pyrrolidine
CID 26192125
(3S)-3-(3,5-dimethylphenoxy)pyrrolidine
CID 26192104

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-yloxybenzaldehyde?
The IUPAC name of 3-pyrrolidin-3-yloxybenzaldehyde (CID 87190134) is 3-pyrrolidin-3-yloxybenzaldehyde.
What is the SMILES notation for 3-pyrrolidin-3-yloxybenzaldehyde?
The canonical SMILES for 3-pyrrolidin-3-yloxybenzaldehyde is O=Cc1cccc(OC2CCNC2)c1.
What is the InChIKey of 3-pyrrolidin-3-yloxybenzaldehyde?
The InChIKey is FYCMRJYWXNANFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-8-9-2-1-3-10(6-9)14-11-4-5-12-7-11/h1-3,6,8,11-12H,4-5,7H2.
What are the key properties of 3-pyrrolidin-3-yloxybenzaldehyde?
3-pyrrolidin-3-yloxybenzaldehyde has a molecular weight of 191.23 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-yloxybenzaldehyde is sourced from PubChem (CID 87190134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).