[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C20H19NO3 — CID 113198975

IUPAC[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C20H19NO3/c1-13-10-14-4-2-3-5-16(14)21(13)19(22)20(8-9-20)15-6-7-17-18(11-15)24-12-23-17/h2-7,11,13H,8-10,12H2,1H3
InChIKeyJYYSVZFOYKTRQT-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.42
Rot. Bonds2

About [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 113198975) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID113198975
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C20H19NO3/c1-13-10-14-4-2-3-5-16(14)21(13)19(22)20(8-9-20)15-6-7-17-18(11-15)24-12-23-17/h2-7,11,13H,8-10,12H2,1H3
InChIKeyJYYSVZFOYKTRQT-UHFFFAOYSA-N
XLogP3.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 90504658
[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2,3-dihydroindol-1-yl)methanone
CID 113198897
[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 113198898
2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3878142
(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone
CID 133178298
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 4533666
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 93238246
1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 55034928
2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 51686859
(4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 115293542
[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109164801
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-methyl-2,3-dihydroindol-1-yl)ethane-1,2-dione
CID 108531592

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 113198975) is [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)C1(c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is JYYSVZFOYKTRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-13-10-14-4-2-3-5-16(14)21(13)19(22)20(8-9-20)15-6-7-17-18(11-15)24-12-23-17/h2-7,11,13H,8-10,12H2,1H3.
What are the key properties of [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 321.38 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 113198975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).