tert-butyl N-[(2R)-2-azido-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate

C15H20N4O2 — CID 137441321

IUPACtert-butyl N-[(2R)-2-azido-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1c2ccccc2C[C@H]1N=[N+]=[N-]
InChIInChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)19(4)13-11-8-6-5-7-10(11)9-12(13)17-18-16/h5-8,12-13H,9H2,1-4H3/t12-,13?/m1/s1
InChIKeyODRCEGWSZVJMPK-PZORYLMUSA-N
MW288.35 g/mol
LogP3.83
Rot. Bonds2

About tert-butyl N-[(2R)-2-azido-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate

tert-butyl N-[(2R)-2-azido-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate (PubChem CID 137441321) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-azido-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-azido-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate
PubChem CID137441321
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Nametert-butyl N-[(2R)-2-azido-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1c2ccccc2C[C@H]1N=[N+]=[N-]
InChIInChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)19(4)13-11-8-6-5-7-10(11)9-12(13)17-18-16/h5-8,12-13H,9H2,1-4H3/t12-,13?/m1/s1
InChIKeyODRCEGWSZVJMPK-PZORYLMUSA-N
XLogP3.83
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl N-[(2R)-2-azido-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(2R)-2-azido-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate (CID 137441321) is tert-butyl N-[(2R)-2-azido-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-azido-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-azido-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1c2ccccc2C[C@H]1N=[N+]=[N-].
What is the InChIKey of tert-butyl N-[(2R)-2-azido-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate?
The InChIKey is ODRCEGWSZVJMPK-PZORYLMUSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)19(4)13-11-8-6-5-7-10(11)9-12(13)17-18-16/h5-8,12-13H,9H2,1-4H3/t12-,13?/m1/s1.
What are the key properties of tert-butyl N-[(2R)-2-azido-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate?
tert-butyl N-[(2R)-2-azido-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate has a molecular weight of 288.35 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-azido-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate is sourced from PubChem (CID 137441321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).