1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone

C15H19NO — CID 104750643

IUPAC1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone
SMILESO=C(CN1Cc2ccccc2C1)C1CCCC1
InChIInChI=1S/C15H19NO/c17-15(12-5-1-2-6-12)11-16-9-13-7-3-4-8-14(13)10-16/h3-4,7-8,12H,1-2,5-6,9-11H2
InChIKeyXMXAVDVKMQPNLN-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.76
Rot. Bonds3

About 1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone

1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone (PubChem CID 104750643) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone
PubChem CID104750643
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone
SMILESO=C(CN1Cc2ccccc2C1)C1CCCC1
InChIInChI=1S/C15H19NO/c17-15(12-5-1-2-6-12)11-16-9-13-7-3-4-8-14(13)10-16/h3-4,7-8,12H,1-2,5-6,9-11H2
InChIKeyXMXAVDVKMQPNLN-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-3-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 115007029
2-[(2S)-1-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperidin-2-yl]acetic acid
CID 125175276
1-cyclopentyl-2-indol-1-ylethanone
CID 104751207
1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 104750922
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 75362957
1-cyclopropyl-2-(2,3-dihydroindol-1-yl)ethanone
CID 63912554
2-(benzotriazol-1-yl)-1-cyclohexylethanone
CID 115579305
2-(3-chloroindol-1-yl)-1-cyclopentylethanone
CID 104751384
4-(2-cyclopentyl-2-oxoethyl)-1,4-diazepan-2-one
CID 104750873
2-(2-cyclopentyl-2-oxoethyl)pyridazin-3-one
CID 104751389
5-bromo-1-(2-cyclopentyl-2-oxoethyl)pyridin-2-one
CID 104751175
1-cyclohexyl-2-(N-methylanilino)ethanone
CID 12697074

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone?
The IUPAC name of 1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone (CID 104750643) is 1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone is O=C(CN1Cc2ccccc2C1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone?
The InChIKey is XMXAVDVKMQPNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-15(12-5-1-2-6-12)11-16-9-13-7-3-4-8-14(13)10-16/h3-4,7-8,12H,1-2,5-6,9-11H2.
What are the key properties of 1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone?
1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone has a molecular weight of 229.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone is sourced from PubChem (CID 104750643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).