tert-butyl N-(4-azido-3,4-dihydro-2H-pyran-3-yl)carbamate

C10H16N4O3 — CID 140985244

IUPACtert-butyl N-(4-azido-3,4-dihydro-2H-pyran-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1COC=CC1N=[N+]=[N-]
InChIInChI=1S/C10H16N4O3/c1-10(2,3)17-9(15)12-8-6-16-5-4-7(8)13-14-11/h4-5,7-8H,6H2,1-3H3,(H,12,15)
InChIKeyYRZHGSCTJNETEK-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.10
Rot. Bonds2

About tert-butyl N-(4-azido-3,4-dihydro-2H-pyran-3-yl)carbamate

tert-butyl N-(4-azido-3,4-dihydro-2H-pyran-3-yl)carbamate (PubChem CID 140985244) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is tert-butyl N-(4-azido-3,4-dihydro-2H-pyran-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-azido-3,4-dihydro-2H-pyran-3-yl)carbamate
PubChem CID140985244
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Nametert-butyl N-(4-azido-3,4-dihydro-2H-pyran-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1COC=CC1N=[N+]=[N-]
InChIInChI=1S/C10H16N4O3/c1-10(2,3)17-9(15)12-8-6-16-5-4-7(8)13-14-11/h4-5,7-8H,6H2,1-3H3,(H,12,15)
InChIKeyYRZHGSCTJNETEK-UHFFFAOYSA-N
XLogP2.10
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

tert-butyl N-[(2R,3S)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate
CID 45103018
tert-butyl N-[(2S)-1-[[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]propan-2-yl]carbamate
CID 126745803
tert-butyl N-[(2S,3R)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate
CID 102171696
tert-butyl N-[(2S,3S)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate
CID 102171699
tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-2-yl]carbamate
CID 107247579
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate
CID 107248238
tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-yl]carbamate
CID 107250303
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)butyl]carbamate
CID 107250959
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)pentyl]carbamate
CID 107253562

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-azido-3,4-dihydro-2H-pyran-3-yl)carbamate?
The IUPAC name of tert-butyl N-(4-azido-3,4-dihydro-2H-pyran-3-yl)carbamate (CID 140985244) is tert-butyl N-(4-azido-3,4-dihydro-2H-pyran-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-azido-3,4-dihydro-2H-pyran-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-azido-3,4-dihydro-2H-pyran-3-yl)carbamate is CC(C)(C)OC(=O)NC1COC=CC1N=[N+]=[N-].
What is the InChIKey of tert-butyl N-(4-azido-3,4-dihydro-2H-pyran-3-yl)carbamate?
The InChIKey is YRZHGSCTJNETEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-10(2,3)17-9(15)12-8-6-16-5-4-7(8)13-14-11/h4-5,7-8H,6H2,1-3H3,(H,12,15).
What are the key properties of tert-butyl N-(4-azido-3,4-dihydro-2H-pyran-3-yl)carbamate?
tert-butyl N-(4-azido-3,4-dihydro-2H-pyran-3-yl)carbamate has a molecular weight of 240.26 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-azido-3,4-dihydro-2H-pyran-3-yl)carbamate is sourced from PubChem (CID 140985244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).