1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile

C14H14N2O2 — CID 117003312

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESN#CC1=CCN(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C14H14N2O2/c15-10-11-3-5-16(6-4-11)12-1-2-13-14(9-12)18-8-7-17-13/h1-3,9H,4-8H2
InChIKeyHCTMRUZJJAJIHS-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.12
Rot. Bonds1

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile (PubChem CID 117003312) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile
PubChem CID117003312
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESN#CC1=CCN(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C14H14N2O2/c15-10-11-3-5-16(6-4-11)12-1-2-13-14(9-12)18-8-7-17-13/h1-3,9H,4-8H2
InChIKeyHCTMRUZJJAJIHS-UHFFFAOYSA-N
XLogP2.12
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(3-cyanophenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 117003320
1-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 117003289
4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carbonitrile
CID 117009780
1-(1,3-benzodioxol-5-yl)piperidine
CID 15712176
2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene-14,30-dicarbonitrile
CID 3956324
2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperazin-1-yl]ethanamine
CID 98021183
1-(1,3-benzodioxol-5-yl)piperidin-4-one
CID 2728521
4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carboxylic acid
CID 117008801
4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-3-carbonitrile
CID 117009100
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfonylpiperazine
CID 110363942
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]ethyl]benzimidazole-5-carbonitrile
CID 57176462
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoropiperidine
CID 117007729

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile (CID 117003312) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile is N#CC1=CCN(c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The InChIKey is HCTMRUZJJAJIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-10-11-3-5-16(6-4-11)12-1-2-13-14(9-12)18-8-7-17-13/h1-3,9H,4-8H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile has a molecular weight of 242.28 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile is sourced from PubChem (CID 117003312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).