1-[5-(hydroxymethyl)-1H-indol-2-yl]cyclopentan-1-ol

C14H17NO2 — CID 86068018

IUPAC1-[5-(hydroxymethyl)-1H-indol-2-yl]cyclopentan-1-ol
SMILESOCc1ccc2[nH]c(C3(O)CCCC3)cc2c1
InChIInChI=1S/C14H17NO2/c16-9-10-3-4-12-11(7-10)8-13(15-12)14(17)5-1-2-6-14/h3-4,7-8,15-17H,1-2,5-6,9H2
InChIKeyFQAJVBUHBWWINB-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.42
Rot. Bonds2

About 1-[5-(hydroxymethyl)-1H-indol-2-yl]cyclopentan-1-ol

1-[5-(hydroxymethyl)-1H-indol-2-yl]cyclopentan-1-ol (PubChem CID 86068018) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[5-(hydroxymethyl)-1H-indol-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[5-(hydroxymethyl)-1H-indol-2-yl]cyclopentan-1-ol
PubChem CID86068018
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-[5-(hydroxymethyl)-1H-indol-2-yl]cyclopentan-1-ol
SMILESOCc1ccc2[nH]c(C3(O)CCCC3)cc2c1
InChIInChI=1S/C14H17NO2/c16-9-10-3-4-12-11(7-10)8-13(15-12)14(17)5-1-2-6-14/h3-4,7-8,15-17H,1-2,5-6,9H2
InChIKeyFQAJVBUHBWWINB-UHFFFAOYSA-N
XLogP2.42
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxymethyl)-1H-indol-2-yl]cyclopentan-1-ol?
The IUPAC name of 1-[5-(hydroxymethyl)-1H-indol-2-yl]cyclopentan-1-ol (CID 86068018) is 1-[5-(hydroxymethyl)-1H-indol-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 1-[5-(hydroxymethyl)-1H-indol-2-yl]cyclopentan-1-ol?
The canonical SMILES for 1-[5-(hydroxymethyl)-1H-indol-2-yl]cyclopentan-1-ol is OCc1ccc2[nH]c(C3(O)CCCC3)cc2c1.
What is the InChIKey of 1-[5-(hydroxymethyl)-1H-indol-2-yl]cyclopentan-1-ol?
The InChIKey is FQAJVBUHBWWINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-9-10-3-4-12-11(7-10)8-13(15-12)14(17)5-1-2-6-14/h3-4,7-8,15-17H,1-2,5-6,9H2.
What are the key properties of 1-[5-(hydroxymethyl)-1H-indol-2-yl]cyclopentan-1-ol?
1-[5-(hydroxymethyl)-1H-indol-2-yl]cyclopentan-1-ol has a molecular weight of 231.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(hydroxymethyl)-1H-indol-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 86068018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).