cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone

C12H12O3 — CID 772237

IUPACcyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
SMILESO=C(c1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C12H12O3/c13-12(8-1-2-8)9-3-4-10-11(7-9)15-6-5-14-10/h3-4,7-8H,1-2,5-6H2
InChIKeyMNCHTHBKZOMDQI-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.05
Rot. Bonds2

About cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone

cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone (PubChem CID 772237) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone.

Molecular Properties

Compound Namecyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
PubChem CID772237
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Namecyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
SMILESO=C(c1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C12H12O3/c13-12(8-1-2-8)9-3-4-10-11(7-9)15-6-5-14-10/h3-4,7-8H,1-2,5-6H2
InChIKeyMNCHTHBKZOMDQI-UHFFFAOYSA-N
XLogP2.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone 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

cyclobutyl(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 43159932
(3-aminocyclopentyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 116587227
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-4-yl)methanone
CID 24688672
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(9H-fluoren-9-yl)piperidin-4-yl]methanone
CID 52679341
2,3-dihydro-1,4-benzodioxin-6-yl-(5-methyloxolan-2-yl)methanone
CID 81330292
cis-(1S,2R)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)cyclohexane-1-carboxylic acid
CID 26595670
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(oxan-2-ylmethyl)piperidin-4-yl]methanone
CID 134051169
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18142936
1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-2-methylbutan-1-one
CID 51332148
(2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)cyclopropane-1-carboxylic acid
CID 144816963
N-[4-(cyclopropanecarbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110604226
[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 1438189

Frequently Asked Questions

What is the IUPAC name of cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The IUPAC name of cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone (CID 772237) is cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone.
What is the SMILES notation for cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The canonical SMILES for cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone is O=C(c1ccc2c(c1)OCCO2)C1CC1.
What is the InChIKey of cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The InChIKey is MNCHTHBKZOMDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c13-12(8-1-2-8)9-3-4-10-11(7-9)15-6-5-14-10/h3-4,7-8H,1-2,5-6H2.
What are the key properties of cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone has a molecular weight of 204.22 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone is sourced from PubChem (CID 772237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).