2-(3-hydroxyphenyl)pyrrolidine-1-carbaldehyde

C11H13NO2 — CID 174863712

IUPAC2-(3-hydroxyphenyl)pyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1c1cccc(O)c1
InChIInChI=1S/C11H13NO2/c13-8-12-6-2-5-11(12)9-3-1-4-10(14)7-9/h1,3-4,7-8,11,14H,2,5-6H2
InChIKeyIVVYHSMVTLVKDZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.69
Rot. Bonds2

About 2-(3-hydroxyphenyl)pyrrolidine-1-carbaldehyde

2-(3-hydroxyphenyl)pyrrolidine-1-carbaldehyde (PubChem CID 174863712) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)pyrrolidine-1-carbaldehyde
PubChem CID174863712
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(3-hydroxyphenyl)pyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1c1cccc(O)c1
InChIInChI=1S/C11H13NO2/c13-8-12-6-2-5-11(12)9-3-1-4-10(14)7-9/h1,3-4,7-8,11,14H,2,5-6H2
InChIKeyIVVYHSMVTLVKDZ-UHFFFAOYSA-N
XLogP1.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylphenyl)pyrrolidine-1-carbaldehyde;hydrochloride
CID 175371081
2-[3-[4-(3-hydroxyanilino)thieno[3,2-d]pyrimidin-6-yl]phenyl]pyrrolidine-1-carbaldehyde
CID 89440737
(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CID 124501094
2-(4-aminophenyl)pyrrolidine-1-carbaldehyde
CID 151121323
2-phenylazetidine-1-carbaldehyde
CID 172843566
3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol
CID 15293226
2-[6-(dimethylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde
CID 102539774
2-(1H-indol-5-yl)piperidine-1-carbaldehyde
CID 102544412
2-(3-hydroxyphenyl)-1-methylpiperidin-3-ol
CID 105460356
3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol
CID 82557193
2-[3-[[2-(2-bromoanilino)ethylamino]methyl]phenyl]piperidine-1-carbaldehyde
CID 87247976
3-cyclohexylphenol
CID 16036

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)pyrrolidine-1-carbaldehyde?
The IUPAC name of 2-(3-hydroxyphenyl)pyrrolidine-1-carbaldehyde (CID 174863712) is 2-(3-hydroxyphenyl)pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2-(3-hydroxyphenyl)pyrrolidine-1-carbaldehyde?
The canonical SMILES for 2-(3-hydroxyphenyl)pyrrolidine-1-carbaldehyde is O=CN1CCCC1c1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)pyrrolidine-1-carbaldehyde?
The InChIKey is IVVYHSMVTLVKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-8-12-6-2-5-11(12)9-3-1-4-10(14)7-9/h1,3-4,7-8,11,14H,2,5-6H2.
What are the key properties of 2-(3-hydroxyphenyl)pyrrolidine-1-carbaldehyde?
2-(3-hydroxyphenyl)pyrrolidine-1-carbaldehyde has a molecular weight of 191.23 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 174863712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).