2-hydroxy-4-pyrrolidin-1-ylbenzaldehyde

C11H13NO2 — CID 12716581

IUPAC2-hydroxy-4-pyrrolidin-1-ylbenzaldehyde
SMILESO=Cc1ccc(N2CCCC2)cc1O
InChIInChI=1S/C11H13NO2/c13-8-9-3-4-10(7-11(9)14)12-5-1-2-6-12/h3-4,7-8,14H,1-2,5-6H2
InChIKeyJLOSVBJCDKETDE-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.80
Rot. Bonds2

About 2-hydroxy-4-pyrrolidin-1-ylbenzaldehyde

2-hydroxy-4-pyrrolidin-1-ylbenzaldehyde (PubChem CID 12716581) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-hydroxy-4-pyrrolidin-1-ylbenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-4-pyrrolidin-1-ylbenzaldehyde
PubChem CID12716581
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-hydroxy-4-pyrrolidin-1-ylbenzaldehyde
SMILESO=Cc1ccc(N2CCCC2)cc1O
InChIInChI=1S/C11H13NO2/c13-8-9-3-4-10(7-11(9)14)12-5-1-2-6-12/h3-4,7-8,14H,1-2,5-6H2
InChIKeyJLOSVBJCDKETDE-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.80
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

4-(Diethylamino)-2-hydroxybenzaldehyde
CID 87293
1-(2-Hydroxy-4-morpholin-4-ylphenyl)ethanone
CID 9859309
4-(Dimethylamino)-2-hydroxybenzaldehyde
CID 9815305
4-(Diethylamino)-2-methoxybenzaldehyde
CID 780883
9-Formyl-8-julolidinol
CID 113099
DNA-PK inhibitor V
CID 16760391
2-Methoxy-4-pyrrolidin-1-yl-benzaldehyde
CID 977702
4-(Dimethylamino)salicylic acid
CID 89978
4-(Dimethylamino)-2-methoxybenzaldehyde
CID 291350
2-Hydroxy-4-morpholin-4-yl-benzaldehyde
CID 9815659
N-(3-Hydroxy-4-propionylphenyl)acetamide
CID 586046
4-(Diethylamino)-2-hydroxybenzoic acid
CID 89977

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-pyrrolidin-1-ylbenzaldehyde?
The IUPAC name of 2-hydroxy-4-pyrrolidin-1-ylbenzaldehyde (CID 12716581) is 2-hydroxy-4-pyrrolidin-1-ylbenzaldehyde.
What is the SMILES notation for 2-hydroxy-4-pyrrolidin-1-ylbenzaldehyde?
The canonical SMILES for 2-hydroxy-4-pyrrolidin-1-ylbenzaldehyde is O=Cc1ccc(N2CCCC2)cc1O.
What is the InChIKey of 2-hydroxy-4-pyrrolidin-1-ylbenzaldehyde?
The InChIKey is JLOSVBJCDKETDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-8-9-3-4-10(7-11(9)14)12-5-1-2-6-12/h3-4,7-8,14H,1-2,5-6H2.
What are the key properties of 2-hydroxy-4-pyrrolidin-1-ylbenzaldehyde?
2-hydroxy-4-pyrrolidin-1-ylbenzaldehyde has a molecular weight of 191.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-pyrrolidin-1-ylbenzaldehyde is sourced from PubChem (CID 12716581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).