2-amino-3-(2-methylidenepyrrolidin-3-yl)propanal

C8H14N2O — CID 169131190

IUPAC2-amino-3-(2-methylidenepyrrolidin-3-yl)propanal
SMILESC=C1NCCC1CC(N)C=O
InChIInChI=1S/C8H14N2O/c1-6-7(2-3-10-6)4-8(9)5-11/h5,7-8,10H,1-4,9H2
InChIKeyAMULJRZLVYNAOG-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.03
Rot. Bonds3

About 2-amino-3-(2-methylidenepyrrolidin-3-yl)propanal

2-amino-3-(2-methylidenepyrrolidin-3-yl)propanal (PubChem CID 169131190) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-amino-3-(2-methylidenepyrrolidin-3-yl)propanal.

Molecular Properties

Compound Name2-amino-3-(2-methylidenepyrrolidin-3-yl)propanal
PubChem CID169131190
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-amino-3-(2-methylidenepyrrolidin-3-yl)propanal
SMILESC=C1NCCC1CC(N)C=O
InChIInChI=1S/C8H14N2O/c1-6-7(2-3-10-6)4-8(9)5-11/h5,7-8,10H,1-4,9H2
InChIKeyAMULJRZLVYNAOG-UHFFFAOYSA-N
XLogP0.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methylidenepyrrolidin-3-yl)propanal?
The IUPAC name of 2-amino-3-(2-methylidenepyrrolidin-3-yl)propanal (CID 169131190) is 2-amino-3-(2-methylidenepyrrolidin-3-yl)propanal.
What is the SMILES notation for 2-amino-3-(2-methylidenepyrrolidin-3-yl)propanal?
The canonical SMILES for 2-amino-3-(2-methylidenepyrrolidin-3-yl)propanal is C=C1NCCC1CC(N)C=O.
What is the InChIKey of 2-amino-3-(2-methylidenepyrrolidin-3-yl)propanal?
The InChIKey is AMULJRZLVYNAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6-7(2-3-10-6)4-8(9)5-11/h5,7-8,10H,1-4,9H2.
What are the key properties of 2-amino-3-(2-methylidenepyrrolidin-3-yl)propanal?
2-amino-3-(2-methylidenepyrrolidin-3-yl)propanal has a molecular weight of 154.21 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methylidenepyrrolidin-3-yl)propanal is sourced from PubChem (CID 169131190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).