8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine

C10H13NO2 — CID 154620164

IUPAC8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
SMILESCC(C)c1cncc2c1OCCO2
InChIInChI=1S/C10H13NO2/c1-7(2)8-5-11-6-9-10(8)13-4-3-12-9/h5-7H,3-4H2,1-2H3
InChIKeyRQTFVKSIJOYECL-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.98
Rot. Bonds1

About 8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine

8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine (PubChem CID 154620164) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine.

Molecular Properties

Compound Name8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
PubChem CID154620164
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
SMILESCC(C)c1cncc2c1OCCO2
InChIInChI=1S/C10H13NO2/c1-7(2)8-5-11-6-9-10(8)13-4-3-12-9/h5-7H,3-4H2,1-2H3
InChIKeyRQTFVKSIJOYECL-UHFFFAOYSA-N
XLogP1.98
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine 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

4-propan-2-yl-2,3-dihydrofuro[2,3-c]pyridine
CID 176699497
1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine
CID 170669244
8-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 12621940
5,7-di(propan-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
CID 167420618
4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine
CID 59583797
7-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 155120601
2-(2,3-dihydro-1,4-benzodioxin-5-yl)propanenitrile
CID 83684567
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105175190
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carbonitrile
CID 117291504
2-(5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117343376
2-cyclopropyl-7-propan-2-ylfuro[3,2-c]pyridine
CID 178038688
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine?
The IUPAC name of 8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine (CID 154620164) is 8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine.
What is the SMILES notation for 8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine?
The canonical SMILES for 8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine is CC(C)c1cncc2c1OCCO2.
What is the InChIKey of 8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine?
The InChIKey is RQTFVKSIJOYECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(2)8-5-11-6-9-10(8)13-4-3-12-9/h5-7H,3-4H2,1-2H3.
What are the key properties of 8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine?
8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine has a molecular weight of 179.22 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine is sourced from PubChem (CID 154620164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).