N,N-bis(prop-2-ynyl)-3,4-dihydro-2H-pyran-6-carboxamide

C12H13NO2 — CID 95934942

IUPACN,N-bis(prop-2-ynyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESC#CCN(CC#C)C(=O)C1=CCCCO1
InChIInChI=1S/C12H13NO2/c1-3-8-13(9-4-2)12(14)11-7-5-6-10-15-11/h1-2,7H,5-6,8-10H2
InChIKeyZLSRAUWATLLSBL-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.78
Rot. Bonds3

About N,N-bis(prop-2-ynyl)-3,4-dihydro-2H-pyran-6-carboxamide

N,N-bis(prop-2-ynyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 95934942) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is N,N-bis(prop-2-ynyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN,N-bis(prop-2-ynyl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID95934942
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC NameN,N-bis(prop-2-ynyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESC#CCN(CC#C)C(=O)C1=CCCCO1
InChIInChI=1S/C12H13NO2/c1-3-8-13(9-4-2)12(14)11-7-5-6-10-15-11/h1-2,7H,5-6,8-10H2
InChIKeyZLSRAUWATLLSBL-UHFFFAOYSA-N
XLogP0.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', '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-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
3,4-dihydro-2H-pyran-6-yl-(3-methylazetidin-1-yl)methanone
CID 130622019
aziridin-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 130684235

Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-ynyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N,N-bis(prop-2-ynyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 95934942) is N,N-bis(prop-2-ynyl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N,N-bis(prop-2-ynyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N,N-bis(prop-2-ynyl)-3,4-dihydro-2H-pyran-6-carboxamide is C#CCN(CC#C)C(=O)C1=CCCCO1.
What is the InChIKey of N,N-bis(prop-2-ynyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is ZLSRAUWATLLSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-8-13(9-4-2)12(14)11-7-5-6-10-15-11/h1-2,7H,5-6,8-10H2.
What are the key properties of N,N-bis(prop-2-ynyl)-3,4-dihydro-2H-pyran-6-carboxamide?
N,N-bis(prop-2-ynyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 203.24 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-ynyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 95934942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).