(3R,4R)-1-(2-azidoethyl)-4-imidazol-1-ylpyrrolidin-3-ol

C9H14N6O — CID 129497656

IUPAC(3R,4R)-1-(2-azidoethyl)-4-imidazol-1-ylpyrrolidin-3-ol
SMILES[N-]=[N+]=NCCN1C[C@@H](O)[C@H](n2ccnc2)C1
InChIInChI=1S/C9H14N6O/c10-13-12-2-3-14-5-8(9(16)6-14)15-4-1-11-7-15/h1,4,7-9,16H,2-3,5-6H2/t8-,9-/m1/s1
InChIKeyGYTVZJLPZWUSDO-RKDXNWHRSA-N
MW222.25 g/mol
LogP0.41
Rot. Bonds4

About (3R,4R)-1-(2-azidoethyl)-4-imidazol-1-ylpyrrolidin-3-ol

(3R,4R)-1-(2-azidoethyl)-4-imidazol-1-ylpyrrolidin-3-ol (PubChem CID 129497656) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is (3R,4R)-1-(2-azidoethyl)-4-imidazol-1-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(2-azidoethyl)-4-imidazol-1-ylpyrrolidin-3-ol
PubChem CID129497656
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name(3R,4R)-1-(2-azidoethyl)-4-imidazol-1-ylpyrrolidin-3-ol
SMILES[N-]=[N+]=NCCN1C[C@@H](O)[C@H](n2ccnc2)C1
InChIInChI=1S/C9H14N6O/c10-13-12-2-3-14-5-8(9(16)6-14)15-4-1-11-7-15/h1,4,7-9,16H,2-3,5-6H2/t8-,9-/m1/s1
InChIKeyGYTVZJLPZWUSDO-RKDXNWHRSA-N
XLogP0.41
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (3R,4R)-1-(2-azidoethyl)-4-imidazol-1-ylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(2-azidoethyl)-4-imidazol-1-ylpyrrolidin-3-ol (CID 129497656) is (3R,4R)-1-(2-azidoethyl)-4-imidazol-1-ylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(2-azidoethyl)-4-imidazol-1-ylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(2-azidoethyl)-4-imidazol-1-ylpyrrolidin-3-ol is [N-]=[N+]=NCCN1C[C@@H](O)[C@H](n2ccnc2)C1.
What is the InChIKey of (3R,4R)-1-(2-azidoethyl)-4-imidazol-1-ylpyrrolidin-3-ol?
The InChIKey is GYTVZJLPZWUSDO-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H14N6O/c10-13-12-2-3-14-5-8(9(16)6-14)15-4-1-11-7-15/h1,4,7-9,16H,2-3,5-6H2/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-1-(2-azidoethyl)-4-imidazol-1-ylpyrrolidin-3-ol?
(3R,4R)-1-(2-azidoethyl)-4-imidazol-1-ylpyrrolidin-3-ol has a molecular weight of 222.25 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(2-azidoethyl)-4-imidazol-1-ylpyrrolidin-3-ol is sourced from PubChem (CID 129497656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).