(2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carbonyl azide

C11H16N4O — CID 139247442

IUPAC(2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carbonyl azide
SMILES[N-]=[N+]=NC(=O)[C@@H]1CCCN1[C@H]1C=CCCC1
InChIInChI=1S/C11H16N4O/c12-14-13-11(16)10-7-4-8-15(10)9-5-2-1-3-6-9/h2,5,9-10H,1,3-4,6-8H2/t9-,10-/m0/s1
InChIKeyPTOHNNMANDLWPZ-UWVGGRQHSA-N
MW220.28 g/mol
LogP2.40
Rot. Bonds2

About (2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carbonyl azide

(2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carbonyl azide (PubChem CID 139247442) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carbonyl azide.

Molecular Properties

Compound Name(2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carbonyl azide
PubChem CID139247442
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carbonyl azide
SMILES[N-]=[N+]=NC(=O)[C@@H]1CCCN1[C@H]1C=CCCC1
InChIInChI=1S/C11H16N4O/c12-14-13-11(16)10-7-4-8-15(10)9-5-2-1-3-6-9/h2,5,9-10H,1,3-4,6-8H2/t9-,10-/m0/s1
InChIKeyPTOHNNMANDLWPZ-UWVGGRQHSA-N
XLogP2.40
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carbonyl azide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carbonyl azide?
The IUPAC name of (2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carbonyl azide (CID 139247442) is (2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carbonyl azide.
What is the SMILES notation for (2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carbonyl azide?
The canonical SMILES for (2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carbonyl azide is [N-]=[N+]=NC(=O)[C@@H]1CCCN1[C@H]1C=CCCC1.
What is the InChIKey of (2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carbonyl azide?
The InChIKey is PTOHNNMANDLWPZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H16N4O/c12-14-13-11(16)10-7-4-8-15(10)9-5-2-1-3-6-9/h2,5,9-10H,1,3-4,6-8H2/t9-,10-/m0/s1.
What are the key properties of (2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carbonyl azide?
(2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carbonyl azide has a molecular weight of 220.28 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carbonyl azide is sourced from PubChem (CID 139247442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).