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

C14H17NO — CID 116612878

IUPACcyclopentyl(2,3-dihydro-1H-isoindol-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CNC2)C1CCCC1
InChIInChI=1S/C14H17NO/c16-14(10-3-1-2-4-10)11-5-6-12-8-15-9-13(12)7-11/h5-7,10,15H,1-4,8-9H2
InChIKeyXGSFYKRISHZRQU-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.66
Rot. Bonds2

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

cyclopentyl(2,3-dihydro-1H-isoindol-5-yl)methanone (PubChem CID 116612878) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is cyclopentyl(2,3-dihydro-1H-isoindol-5-yl)methanone.

Molecular Properties

Compound Namecyclopentyl(2,3-dihydro-1H-isoindol-5-yl)methanone
PubChem CID116612878
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Namecyclopentyl(2,3-dihydro-1H-isoindol-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CNC2)C1CCCC1
InChIInChI=1S/C14H17NO/c16-14(10-3-1-2-4-10)11-5-6-12-8-15-9-13(12)7-11/h5-7,10,15H,1-4,8-9H2
InChIKeyXGSFYKRISHZRQU-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl(2,3-dihydro-1H-isoindol-5-yl)methanone?
The IUPAC name of cyclopentyl(2,3-dihydro-1H-isoindol-5-yl)methanone (CID 116612878) is cyclopentyl(2,3-dihydro-1H-isoindol-5-yl)methanone.
What is the SMILES notation for cyclopentyl(2,3-dihydro-1H-isoindol-5-yl)methanone?
The canonical SMILES for cyclopentyl(2,3-dihydro-1H-isoindol-5-yl)methanone is O=C(c1ccc2c(c1)CNC2)C1CCCC1.
What is the InChIKey of cyclopentyl(2,3-dihydro-1H-isoindol-5-yl)methanone?
The InChIKey is XGSFYKRISHZRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c16-14(10-3-1-2-4-10)11-5-6-12-8-15-9-13(12)7-11/h5-7,10,15H,1-4,8-9H2.
What are the key properties of cyclopentyl(2,3-dihydro-1H-isoindol-5-yl)methanone?
cyclopentyl(2,3-dihydro-1H-isoindol-5-yl)methanone has a molecular weight of 215.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(2,3-dihydro-1H-isoindol-5-yl)methanone is sourced from PubChem (CID 116612878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).