4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile

C11H14N2O3 — CID 71854986

IUPAC4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile
SMILESN#CC1COCCN1C(=O)C1=CCCCO1
InChIInChI=1S/C11H14N2O3/c12-7-9-8-15-6-4-13(9)11(14)10-3-1-2-5-16-10/h3,9H,1-2,4-6,8H2
InChIKeyGDSJTAIPIHBIDR-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.43
Rot. Bonds1

About 4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile

4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile (PubChem CID 71854986) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile
PubChem CID71854986
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile
SMILESN#CC1COCCN1C(=O)C1=CCCCO1
InChIInChI=1S/C11H14N2O3/c12-7-9-8-15-6-4-13(9)11(14)10-3-1-2-5-16-10/h3,9H,1-2,4-6,8H2
InChIKeyGDSJTAIPIHBIDR-UHFFFAOYSA-N
XLogP0.43
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-pyran-6-yl-[(3S)-3-methylmorpholin-4-yl]methanone
CID 97094843
N-(2-cyanoethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 71922665
1-[4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-1-yl]-2-methoxyethanone
CID 71871542
3,4-dihydro-2H-pyran-6-yl-(2,3-dimethylmorpholin-4-yl)methanone
CID 71915918
1-cyclopropyl-4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-2-one
CID 71924801
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-(2,5-dimethylmorpholin-4-yl)methanone
CID 71926677
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
(3S)-4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile
CID 97005302

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile?
The IUPAC name of 4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile (CID 71854986) is 4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile?
The canonical SMILES for 4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile is N#CC1COCCN1C(=O)C1=CCCCO1.
What is the InChIKey of 4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile?
The InChIKey is GDSJTAIPIHBIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-7-9-8-15-6-4-13(9)11(14)10-3-1-2-5-16-10/h3,9H,1-2,4-6,8H2.
What are the key properties of 4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile?
4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile has a molecular weight of 222.24 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile is sourced from PubChem (CID 71854986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).