1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanol

C13H17NO — CID 117291887

IUPAC1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanol
SMILESCC(O)c1ccc2c(c1)CN(C1CC1)C2
InChIInChI=1S/C13H17NO/c1-9(15)10-2-3-11-7-14(13-4-5-13)8-12(11)6-10/h2-3,6,9,13,15H,4-5,7-8H2,1H3
InChIKeyYUXQLZYWXKRLPW-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.22
Rot. Bonds2

About 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanol

1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanol (PubChem CID 117291887) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanol
PubChem CID117291887
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanol
SMILESCC(O)c1ccc2c(c1)CN(C1CC1)C2
InChIInChI=1S/C13H17NO/c1-9(15)10-2-3-11-7-14(13-4-5-13)8-12(11)6-10/h2-3,6,9,13,15H,4-5,7-8H2,1H3
InChIKeyYUXQLZYWXKRLPW-UHFFFAOYSA-N
XLogP2.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanamine
CID 83832101
1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propan-2-ol
CID 117309876
3-cyclopropyl-3-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanoic acid
CID 117431438
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
CID 62909724
2-cyclopropyl-1,3-dihydroisoindole
CID 12953703
1-[5-(1-hydroxyethyl)-1,3-dihydroisoindol-2-yl]-2-methoxyethanone
CID 82175405
1-[3-bromo-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
CID 62909726
N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide
CID 110459292
1-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanol
CID 82175792
1-(1-cyclohexyl-2,3-dihydroindol-5-yl)ethanol
CID 117118466
3-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)-3-methylbutanoic acid
CID 117402376
2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-dihydroisoindol-5-amine
CID 65470527

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanol?
The IUPAC name of 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanol (CID 117291887) is 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanol.
What is the SMILES notation for 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanol?
The canonical SMILES for 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanol is CC(O)c1ccc2c(c1)CN(C1CC1)C2.
What is the InChIKey of 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanol?
The InChIKey is YUXQLZYWXKRLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(15)10-2-3-11-7-14(13-4-5-13)8-12(11)6-10/h2-3,6,9,13,15H,4-5,7-8H2,1H3.
What are the key properties of 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanol?
1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanol has a molecular weight of 203.29 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanol is sourced from PubChem (CID 117291887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).