2-hydroxy-2-pyrrolidin-1-ylpropanal

C7H13NO2 — CID 87834675

IUPAC2-hydroxy-2-pyrrolidin-1-ylpropanal
SMILESCC(O)(C=O)N1CCCC1
InChIInChI=1S/C7H13NO2/c1-7(10,6-9)8-4-2-3-5-8/h6,10H,2-5H2,1H3
InChIKeyMXUXUUOCFSZKMY-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.01
Rot. Bonds2

About 2-hydroxy-2-pyrrolidin-1-ylpropanal

2-hydroxy-2-pyrrolidin-1-ylpropanal (PubChem CID 87834675) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-hydroxy-2-pyrrolidin-1-ylpropanal.

Molecular Properties

Compound Name2-hydroxy-2-pyrrolidin-1-ylpropanal
PubChem CID87834675
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-hydroxy-2-pyrrolidin-1-ylpropanal
SMILESCC(O)(C=O)N1CCCC1
InChIInChI=1S/C7H13NO2/c1-7(10,6-9)8-4-2-3-5-8/h6,10H,2-5H2,1H3
InChIKeyMXUXUUOCFSZKMY-UHFFFAOYSA-N
XLogP-0.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.01
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

2-chloro-2-pyrrolidin-1-ylpropanal
CID 174734311
2-methyl-2-piperidin-1-ylbutanal
CID 130591088
3-methyl-3-piperidin-1-ylbutanal
CID 102486553
2-methyl-2-pyrrolidin-1-ylpropanoic acid
CID 22311931
2,2-dimethylpropanal;1-methylpyrrolidine
CID 142864246
2,3-dimethyl-3-pyrrolidin-1-ylbutanal
CID 175610716
2,2,4-trimethyl-4-pyrrolidin-1-ylpentan-3-one
CID 79056343
2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-one
CID 79190926
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
trans-(1R,2S)-2-(2-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carbaldehyde
CID 125425363
1-cyclopropyl-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 79056596

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-pyrrolidin-1-ylpropanal?
The IUPAC name of 2-hydroxy-2-pyrrolidin-1-ylpropanal (CID 87834675) is 2-hydroxy-2-pyrrolidin-1-ylpropanal.
What is the SMILES notation for 2-hydroxy-2-pyrrolidin-1-ylpropanal?
The canonical SMILES for 2-hydroxy-2-pyrrolidin-1-ylpropanal is CC(O)(C=O)N1CCCC1.
What is the InChIKey of 2-hydroxy-2-pyrrolidin-1-ylpropanal?
The InChIKey is MXUXUUOCFSZKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(10,6-9)8-4-2-3-5-8/h6,10H,2-5H2,1H3.
What are the key properties of 2-hydroxy-2-pyrrolidin-1-ylpropanal?
2-hydroxy-2-pyrrolidin-1-ylpropanal has a molecular weight of 143.19 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-pyrrolidin-1-ylpropanal is sourced from PubChem (CID 87834675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).