cyclopentyl(1H-isoquinolin-2-yl)methanone

C15H17NO — CID 69095892

IUPACcyclopentyl(1H-isoquinolin-2-yl)methanone
SMILESO=C(C1CCCC1)N1C=Cc2ccccc2C1
InChIInChI=1S/C15H17NO/c17-15(13-6-2-3-7-13)16-10-9-12-5-1-4-8-14(12)11-16/h1,4-5,8-10,13H,2-3,6-7,11H2
InChIKeyMPBLXPXXRLDPMT-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.19
Rot. Bonds1

About cyclopentyl(1H-isoquinolin-2-yl)methanone

cyclopentyl(1H-isoquinolin-2-yl)methanone (PubChem CID 69095892) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is cyclopentyl(1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Namecyclopentyl(1H-isoquinolin-2-yl)methanone
PubChem CID69095892
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Namecyclopentyl(1H-isoquinolin-2-yl)methanone
SMILESO=C(C1CCCC1)N1C=Cc2ccccc2C1
InChIInChI=1S/C15H17NO/c17-15(13-6-2-3-7-13)16-10-9-12-5-1-4-8-14(12)11-16/h1,4-5,8-10,13H,2-3,6-7,11H2
InChIKeyMPBLXPXXRLDPMT-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1H-isoquinolin-2-yl)prop-1-en-1-ol
CID 67836198
N'-benzoyl-1H-isoquinoline-2-carbohydrazide
CID 54109174
2-[4-(1H-isoquinoline-2-carbonyloxy)cyclohexyl]acetic acid
CID 154089409
1H-isoquinolin-2-yl carbamate
CID 151878845
1H-isoquinolin-2-ylcarbamothioic S-acid
CID 90950749
2-(1H-isoquinolin-2-yl)acetamide
CID 22641902
1-(cyclohexanecarbonyl)-4-(2-phenylethyl)-2H-pyrazin-3-one
CID 4124841
1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 104750643
cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
CID 38382766
(E)-2-(1H-isoquinolin-2-yl)-3-pyridin-2-ylprop-2-enamide
CID 90461927
N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-isoquinoline-2-carboxamide
CID 10286523
cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121184511

Frequently Asked Questions

What is the IUPAC name of cyclopentyl(1H-isoquinolin-2-yl)methanone?
The IUPAC name of cyclopentyl(1H-isoquinolin-2-yl)methanone (CID 69095892) is cyclopentyl(1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for cyclopentyl(1H-isoquinolin-2-yl)methanone?
The canonical SMILES for cyclopentyl(1H-isoquinolin-2-yl)methanone is O=C(C1CCCC1)N1C=Cc2ccccc2C1.
What is the InChIKey of cyclopentyl(1H-isoquinolin-2-yl)methanone?
The InChIKey is MPBLXPXXRLDPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c17-15(13-6-2-3-7-13)16-10-9-12-5-1-4-8-14(12)11-16/h1,4-5,8-10,13H,2-3,6-7,11H2.
What are the key properties of cyclopentyl(1H-isoquinolin-2-yl)methanone?
cyclopentyl(1H-isoquinolin-2-yl)methanone has a molecular weight of 227.31 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 69095892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).