aziridin-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone

C8H11NO2 — CID 130684235

IUPACaziridin-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)N1CC1
InChIInChI=1S/C8H11NO2/c10-8(9-4-5-9)7-3-1-2-6-11-7/h3H,1-2,4-6H2
InChIKeyUWPVIIVIBVTFSX-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.52
Rot. Bonds1

About aziridin-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone

aziridin-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 130684235) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is aziridin-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Nameaziridin-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID130684235
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Nameaziridin-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)N1CC1
InChIInChI=1S/C8H11NO2/c10-8(9-4-5-9)7-3-1-2-6-11-7/h3H,1-2,4-6H2
InChIKeyUWPVIIVIBVTFSX-UHFFFAOYSA-N
XLogP0.52
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydro-2H-pyran-6-yl-[(3S)-3-methylmorpholin-4-yl]methanone
CID 97094843
Morpholin-4-yl(2,3,4,5-tetrahydrooxepin-7-yl)methanone
CID 24814125
3,4-dihydro-2H-pyran-6-yl-(3,5-dimethylmorpholin-4-yl)methanone
CID 71925422
3,4-dihydro-2H-pyran-6-yl-(2-methylmorpholin-4-yl)methanone
CID 71925558
3,4-dihydro-2H-pyran-6-yl-(3-methylmorpholin-4-yl)methanone
CID 71926676
3,4-dihydro-2H-pyran-6-yl-(2,6-dimethylmorpholin-4-yl)methanone
CID 71926687
N-(Cyanomethyl)-N-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 71970872
N,N-bis(prop-2-ynyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 95934942
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 99776373
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 111596007
N-(2-hydroxy-2-methylpropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 112267579
N-methyl-N-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 130621590

Frequently Asked Questions

What is the IUPAC name of aziridin-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of aziridin-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone (CID 130684235) is aziridin-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for aziridin-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for aziridin-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone is O=C(C1=CCCCO1)N1CC1.
What is the InChIKey of aziridin-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is UWPVIIVIBVTFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-8(9-4-5-9)7-3-1-2-6-11-7/h3H,1-2,4-6H2.
What are the key properties of aziridin-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
aziridin-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 153.18 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 130684235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).