5-aminopyrrolidine-2-carbaldehyde

C5H10N2O — CID 173320823

IUPAC5-aminopyrrolidine-2-carbaldehyde
SMILESNC1CCC(C=O)N1
InChIInChI=1S/C5H10N2O/c6-5-2-1-4(3-8)7-5/h3-5,7H,1-2,6H2
InChIKeyAVSDQJQOOCJMOC-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.78
Rot. Bonds1

About 5-aminopyrrolidine-2-carbaldehyde

5-aminopyrrolidine-2-carbaldehyde (PubChem CID 173320823) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 5-aminopyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name5-aminopyrrolidine-2-carbaldehyde
PubChem CID173320823
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name5-aminopyrrolidine-2-carbaldehyde
SMILESNC1CCC(C=O)N1
InChIInChI=1S/C5H10N2O/c6-5-2-1-4(3-8)7-5/h3-5,7H,1-2,6H2
InChIKeyAVSDQJQOOCJMOC-UHFFFAOYSA-N
XLogP-0.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-4-hydroxypiperidine-2-carbaldehyde
CID 172767028
cyclopropanamine;formamide
CID 174711245
ethane;(2R)-pyrrolidine-2-carbaldehyde
CID 177324827
(3R)-3-aminopyrrolidine-2-carbaldehyde
CID 174720036
(2R)-piperidine-2-carbaldehyde;hydrochloride
CID 131884313
(5-formylpyrrolidin-2-yl) 4-(aminomethyl)-1,2-dihydrotriazole-3-carboxylate
CID 149171191
N,2-dimethylpropan-2-amine;5-pentylpiperidine-2-carbaldehyde
CID 143297365
(4R)-2-propyl-1,3-thiazolidine-4-carbaldehyde
CID 59154033
ethyl (2S)-5-aminopyrrolidine-2-carboxylate
CID 118106276
cis-(1S,2S)-2-aminocyclohexane-1-carbaldehyde
CID 102087752
5-(cyclohexylamino)piperidine-2-carbaldehyde
CID 175270289
cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde
CID 59901887

Frequently Asked Questions

What is the IUPAC name of 5-aminopyrrolidine-2-carbaldehyde?
The IUPAC name of 5-aminopyrrolidine-2-carbaldehyde (CID 173320823) is 5-aminopyrrolidine-2-carbaldehyde.
What is the SMILES notation for 5-aminopyrrolidine-2-carbaldehyde?
The canonical SMILES for 5-aminopyrrolidine-2-carbaldehyde is NC1CCC(C=O)N1.
What is the InChIKey of 5-aminopyrrolidine-2-carbaldehyde?
The InChIKey is AVSDQJQOOCJMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c6-5-2-1-4(3-8)7-5/h3-5,7H,1-2,6H2.
What are the key properties of 5-aminopyrrolidine-2-carbaldehyde?
5-aminopyrrolidine-2-carbaldehyde has a molecular weight of 114.15 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopyrrolidine-2-carbaldehyde is sourced from PubChem (CID 173320823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).