1,3-dihydroisoindol-2-yl-(2-hydroxycyclopentyl)methanone

C14H17NO2 — CID 110015718

IUPAC1,3-dihydroisoindol-2-yl-(2-hydroxycyclopentyl)methanone
SMILESO=C(C1CCCC1O)N1Cc2ccccc2C1
InChIInChI=1S/C14H17NO2/c16-13-7-3-6-12(13)14(17)15-8-10-4-1-2-5-11(10)9-15/h1-2,4-5,12-13,16H,3,6-9H2
InChIKeyJKJJTDDYSQIROD-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.69
Rot. Bonds1

About 1,3-dihydroisoindol-2-yl-(2-hydroxycyclopentyl)methanone

1,3-dihydroisoindol-2-yl-(2-hydroxycyclopentyl)methanone (PubChem CID 110015718) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-(2-hydroxycyclopentyl)methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-(2-hydroxycyclopentyl)methanone
PubChem CID110015718
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1,3-dihydroisoindol-2-yl-(2-hydroxycyclopentyl)methanone
SMILESO=C(C1CCCC1O)N1Cc2ccccc2C1
InChIInChI=1S/C14H17NO2/c16-13-7-3-6-12(13)14(17)15-8-10-4-1-2-5-11(10)9-15/h1-2,4-5,12-13,16H,3,6-9H2
InChIKeyJKJJTDDYSQIROD-UHFFFAOYSA-N
XLogP1.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-aminocyclopropyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 114999401
(2-hydroxycyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 110013572
cis-(1S,2R)-2-(1,3-dihydroisoindole-2-carbonyl)cyclopropane-1-carboxylic acid
CID 94373189
(2-aminocyclopentyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 64824668
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 4688630
1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 119320268
(2-hydroxycyclopentyl)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone
CID 110015048
2-(1,3-dihydroisoindole-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 64815389
cis-(1S,2R)-2-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonyl)cyclopropane-1-carboxylic acid
CID 129467480
(2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 110015914
(2-aminocyclopentyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 64824026
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-hydroxycyclopentyl)methanone
CID 110015097

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-(2-hydroxycyclopentyl)methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-(2-hydroxycyclopentyl)methanone (CID 110015718) is 1,3-dihydroisoindol-2-yl-(2-hydroxycyclopentyl)methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-(2-hydroxycyclopentyl)methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-(2-hydroxycyclopentyl)methanone is O=C(C1CCCC1O)N1Cc2ccccc2C1.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-(2-hydroxycyclopentyl)methanone?
The InChIKey is JKJJTDDYSQIROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-13-7-3-6-12(13)14(17)15-8-10-4-1-2-5-11(10)9-15/h1-2,4-5,12-13,16H,3,6-9H2.
What are the key properties of 1,3-dihydroisoindol-2-yl-(2-hydroxycyclopentyl)methanone?
1,3-dihydroisoindol-2-yl-(2-hydroxycyclopentyl)methanone has a molecular weight of 231.29 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-(2-hydroxycyclopentyl)methanone is sourced from PubChem (CID 110015718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).