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

C19H17NO3 — CID 113198897

IUPAC[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(N1CCc2ccccc21)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C19H17NO3/c21-18(20-10-7-13-3-1-2-4-15(13)20)19(8-9-19)14-5-6-16-17(11-14)23-12-22-16/h1-6,11H,7-10,12H2
InChIKeyXYGHCBPSUGHKFX-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.04
Rot. Bonds2

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

[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 113198897) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID113198897
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(N1CCc2ccccc21)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C19H17NO3/c21-18(20-10-7-13-3-1-2-4-15(13)20)19(8-9-19)14-5-6-16-17(11-14)23-12-22-16/h1-6,11H,7-10,12H2
InChIKeyXYGHCBPSUGHKFX-UHFFFAOYSA-N
XLogP3.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 113198898
2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone
CID 113198266
[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 113198975
3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 16574667
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 113198662
1-(1,3-benzodioxol-5-yl)-N-(3H-indol-2-yl)cyclopropane-1-carboxamide
CID 58609773
(2R)-2-(1,3-benzodioxol-5-ylamino)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7509416
N-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113178299
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-morpholin-4-ylmethanone
CID 113198624
2-(1,3-benzodioxol-5-ylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 109007346
5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 4884885
(4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone
CID 113280547

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2,3-dihydroindol-1-yl)methanone (CID 113198897) is [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2,3-dihydroindol-1-yl)methanone is O=C(N1CCc2ccccc21)C1(c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is XYGHCBPSUGHKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-18(20-10-7-13-3-1-2-4-15(13)20)19(8-9-19)14-5-6-16-17(11-14)23-12-22-16/h1-6,11H,7-10,12H2.
What are the key properties of [1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2,3-dihydroindol-1-yl)methanone?
[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 307.35 g/mol, XLogP of 3.04, 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]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 113198897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).