[(2S)-2-formylpyrrolidin-1-yl]-methylazanide

C6H11N2O- — CID 58681867

IUPAC[(2S)-2-formylpyrrolidin-1-yl]-methylazanide
SMILESC[N-]N1CCC[C@H]1C=O
InChIInChI=1S/C6H11N2O/c1-7-8-4-2-3-6(8)5-9/h5-6H,2-4H2,1H3/q-1/t6-/m0/s1
InChIKeyLIUSXRYDXWRMGU-LURJTMIESA-N
MW127.17 g/mol
LogP0.57
Rot. Bonds2

About [(2S)-2-formylpyrrolidin-1-yl]-methylazanide

[(2S)-2-formylpyrrolidin-1-yl]-methylazanide (PubChem CID 58681867) has the molecular formula C6H11N2O- and a molecular weight of 127.17 g/mol. Its IUPAC name is [(2S)-2-formylpyrrolidin-1-yl]-methylazanide.

Molecular Properties

Compound Name[(2S)-2-formylpyrrolidin-1-yl]-methylazanide
PubChem CID58681867
Molecular FormulaC6H11N2O-
Molecular Weight127.17 g/mol
Exact Mass127.09
IUPAC Name[(2S)-2-formylpyrrolidin-1-yl]-methylazanide
SMILESC[N-]N1CCC[C@H]1C=O
InChIInChI=1S/C6H11N2O/c1-7-8-4-2-3-6(8)5-9/h5-6H,2-4H2,1H3/q-1/t6-/m0/s1
InChIKeyLIUSXRYDXWRMGU-LURJTMIESA-N
XLogP0.57
TPSA34.41 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-formylpyrrolidin-1-yl]-methylazanide?
The IUPAC name of [(2S)-2-formylpyrrolidin-1-yl]-methylazanide (CID 58681867) is [(2S)-2-formylpyrrolidin-1-yl]-methylazanide.
What is the SMILES notation for [(2S)-2-formylpyrrolidin-1-yl]-methylazanide?
The canonical SMILES for [(2S)-2-formylpyrrolidin-1-yl]-methylazanide is C[N-]N1CCC[C@H]1C=O.
What is the InChIKey of [(2S)-2-formylpyrrolidin-1-yl]-methylazanide?
The InChIKey is LIUSXRYDXWRMGU-LURJTMIESA-N. The full InChI is InChI=1S/C6H11N2O/c1-7-8-4-2-3-6(8)5-9/h5-6H,2-4H2,1H3/q-1/t6-/m0/s1.
What are the key properties of [(2S)-2-formylpyrrolidin-1-yl]-methylazanide?
[(2S)-2-formylpyrrolidin-1-yl]-methylazanide has a molecular weight of 127.17 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-formylpyrrolidin-1-yl]-methylazanide is sourced from PubChem (CID 58681867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).