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

C11H14N2O3 — CID 97005303

IUPAC(3R)-4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile
SMILESN#C[C@@H]1COCCN1C(=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/t9-/m1/s1
InChIKeyGDSJTAIPIHBIDR-SECBINFHSA-N
MW222.24 g/mol
LogP0.43
Rot. Bonds1

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

(3R)-4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile (PubChem CID 97005303) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (3R)-4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile.

Molecular Properties

Compound Name(3R)-4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile
PubChem CID97005303
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(3R)-4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile
SMILESN#C[C@@H]1COCCN1C(=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/t9-/m1/s1
InChIKeyGDSJTAIPIHBIDR-SECBINFHSA-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

Analyze (3R)-4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile
CID 71854986
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

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile?
The IUPAC name of (3R)-4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile (CID 97005303) is (3R)-4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile.
What is the SMILES notation for (3R)-4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile?
The canonical SMILES for (3R)-4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile is N#C[C@@H]1COCCN1C(=O)C1=CCCCO1.
What is the InChIKey of (3R)-4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile?
The InChIKey is GDSJTAIPIHBIDR-SECBINFHSA-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/t9-/m1/s1.
What are the key properties of (3R)-4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile?
(3R)-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 (3R)-4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile is sourced from PubChem (CID 97005303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).