(4R)-4-(azidomethyl)pyrrolidin-2-one

C5H8N4O — CID 141038490

IUPAC(4R)-4-(azidomethyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NC[C@H]1CNC(=O)C1
InChIInChI=1S/C5H8N4O/c6-9-8-3-4-1-5(10)7-2-4/h4H,1-3H2,(H,7,10)/t4-/m1/s1
InChIKeyTZKYBBMZVZKNTJ-SCSAIBSYSA-N
MW140.15 g/mol
LogP0.43
Rot. Bonds2

About (4R)-4-(azidomethyl)pyrrolidin-2-one

(4R)-4-(azidomethyl)pyrrolidin-2-one (PubChem CID 141038490) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is (4R)-4-(azidomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(azidomethyl)pyrrolidin-2-one
PubChem CID141038490
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name(4R)-4-(azidomethyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NC[C@H]1CNC(=O)C1
InChIInChI=1S/C5H8N4O/c6-9-8-3-4-1-5(10)7-2-4/h4H,1-3H2,(H,7,10)/t4-/m1/s1
InChIKeyTZKYBBMZVZKNTJ-SCSAIBSYSA-N
XLogP0.43
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(azidomethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(azidomethyl)pyrrolidin-2-one (CID 141038490) is (4R)-4-(azidomethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(azidomethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(azidomethyl)pyrrolidin-2-one is [N-]=[N+]=NC[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-(azidomethyl)pyrrolidin-2-one?
The InChIKey is TZKYBBMZVZKNTJ-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H8N4O/c6-9-8-3-4-1-5(10)7-2-4/h4H,1-3H2,(H,7,10)/t4-/m1/s1.
What are the key properties of (4R)-4-(azidomethyl)pyrrolidin-2-one?
(4R)-4-(azidomethyl)pyrrolidin-2-one has a molecular weight of 140.15 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(azidomethyl)pyrrolidin-2-one is sourced from PubChem (CID 141038490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).