2-diazo-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone

C11H17N3O — CID 141270617

IUPAC2-diazo-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone
SMILESC=CC[C@@H]1CNC(C)(C)[C@H]1C(=O)C=[N+]=[N-]
InChIInChI=1S/C11H17N3O/c1-4-5-8-6-13-11(2,3)10(8)9(15)7-14-12/h4,7-8,10,13H,1,5-6H2,2-3H3/t8-,10-/m1/s1
InChIKeyWUQWTHBXHWPXPK-PSASIEDQSA-N
MW207.28 g/mol
LogP1.05
Rot. Bonds4

About 2-diazo-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone

2-diazo-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone (PubChem CID 141270617) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-diazo-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-diazo-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone
PubChem CID141270617
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-diazo-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone
SMILESC=CC[C@@H]1CNC(C)(C)[C@H]1C(=O)C=[N+]=[N-]
InChIInChI=1S/C11H17N3O/c1-4-5-8-6-13-11(2,3)10(8)9(15)7-14-12/h4,7-8,10,13H,1,5-6H2,2-3H3/t8-,10-/m1/s1
InChIKeyWUQWTHBXHWPXPK-PSASIEDQSA-N
XLogP1.05
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-diazo-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone 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 2-diazo-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone?
The IUPAC name of 2-diazo-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone (CID 141270617) is 2-diazo-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone.
What is the SMILES notation for 2-diazo-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone?
The canonical SMILES for 2-diazo-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone is C=CC[C@@H]1CNC(C)(C)[C@H]1C(=O)C=[N+]=[N-].
What is the InChIKey of 2-diazo-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone?
The InChIKey is WUQWTHBXHWPXPK-PSASIEDQSA-N. The full InChI is InChI=1S/C11H17N3O/c1-4-5-8-6-13-11(2,3)10(8)9(15)7-14-12/h4,7-8,10,13H,1,5-6H2,2-3H3/t8-,10-/m1/s1.
What are the key properties of 2-diazo-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone?
2-diazo-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone has a molecular weight of 207.28 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone is sourced from PubChem (CID 141270617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).