cyclobutyl(2,3-dihydro-1H-isoindol-5-yl)methanone

C13H15NO — CID 116613110

IUPACcyclobutyl(2,3-dihydro-1H-isoindol-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CNC2)C1CCC1
InChIInChI=1S/C13H15NO/c15-13(9-2-1-3-9)10-4-5-11-7-14-8-12(11)6-10/h4-6,9,14H,1-3,7-8H2
InChIKeyACHBADONSPHXPG-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.27
Rot. Bonds2

About cyclobutyl(2,3-dihydro-1H-isoindol-5-yl)methanone

cyclobutyl(2,3-dihydro-1H-isoindol-5-yl)methanone (PubChem CID 116613110) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is cyclobutyl(2,3-dihydro-1H-isoindol-5-yl)methanone.

Molecular Properties

Compound Namecyclobutyl(2,3-dihydro-1H-isoindol-5-yl)methanone
PubChem CID116613110
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Namecyclobutyl(2,3-dihydro-1H-isoindol-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CNC2)C1CCC1
InChIInChI=1S/C13H15NO/c15-13(9-2-1-3-9)10-4-5-11-7-14-8-12(11)6-10/h4-6,9,14H,1-3,7-8H2
InChIKeyACHBADONSPHXPG-UHFFFAOYSA-N
XLogP2.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 116612878
2,3-dihydro-1H-isoindol-5-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116612912
N-cyclopentyl-N-ethyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997969
cyclobutyl-(3,4-dichlorophenyl)methanone
CID 24724150
N-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 102861861
(3,5-dimethylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609372
1-(2,3-dihydro-1H-isoindole-5-carbonyl)piperidine-4-carboxylic acid
CID 115867074
cyclopentyl(2,3-dihydro-1H-indol-5-yl)methanone
CID 39243587
cyclobutyl(9H-fluoren-3-yl)methanone
CID 43337992
1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one
CID 116612892
5-(cyclopentanecarbonyl)-1,3-dihydroindol-2-one
CID 43160619
N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 107418395

Frequently Asked Questions

What is the IUPAC name of cyclobutyl(2,3-dihydro-1H-isoindol-5-yl)methanone?
The IUPAC name of cyclobutyl(2,3-dihydro-1H-isoindol-5-yl)methanone (CID 116613110) is cyclobutyl(2,3-dihydro-1H-isoindol-5-yl)methanone.
What is the SMILES notation for cyclobutyl(2,3-dihydro-1H-isoindol-5-yl)methanone?
The canonical SMILES for cyclobutyl(2,3-dihydro-1H-isoindol-5-yl)methanone is O=C(c1ccc2c(c1)CNC2)C1CCC1.
What is the InChIKey of cyclobutyl(2,3-dihydro-1H-isoindol-5-yl)methanone?
The InChIKey is ACHBADONSPHXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-13(9-2-1-3-9)10-4-5-11-7-14-8-12(11)6-10/h4-6,9,14H,1-3,7-8H2.
What are the key properties of cyclobutyl(2,3-dihydro-1H-isoindol-5-yl)methanone?
cyclobutyl(2,3-dihydro-1H-isoindol-5-yl)methanone has a molecular weight of 201.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl(2,3-dihydro-1H-isoindol-5-yl)methanone is sourced from PubChem (CID 116613110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).