cyclopenta[b]indol-7-ol;hydrate;hydrochloride

C11H10ClNO2 — CID 159034649

IUPACcyclopenta[b]indol-7-ol;hydrate;hydrochloride
SMILESCl.O.Oc1ccc2c(c1)=C1C=CC=C1N=2
InChIInChI=1S/C11H7NO.ClH.H2O/c13-7-4-5-11-9(6-7)8-2-1-3-10(8)12-11;;/h1-6,13H;1H;1H2
InChIKeyJVHSFIRAJVDNMX-UHFFFAOYSA-N
MW223.66 g/mol
LogP0.23
Rot. Bonds

About cyclopenta[b]indol-7-ol;hydrate;hydrochloride

cyclopenta[b]indol-7-ol;hydrate;hydrochloride (PubChem CID 159034649) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is cyclopenta[b]indol-7-ol;hydrate;hydrochloride.

Molecular Properties

Compound Namecyclopenta[b]indol-7-ol;hydrate;hydrochloride
PubChem CID159034649
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Namecyclopenta[b]indol-7-ol;hydrate;hydrochloride
SMILESCl.O.Oc1ccc2c(c1)=C1C=CC=C1N=2
InChIInChI=1S/C11H7NO.ClH.H2O/c13-7-4-5-11-9(6-7)8-2-1-3-10(8)12-11;;/h1-6,13H;1H;1H2
InChIKeyJVHSFIRAJVDNMX-UHFFFAOYSA-N
XLogP0.23
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopenta[b]indol-7-ol;hydrate;hydrochloride?
The IUPAC name of cyclopenta[b]indol-7-ol;hydrate;hydrochloride (CID 159034649) is cyclopenta[b]indol-7-ol;hydrate;hydrochloride.
What is the SMILES notation for cyclopenta[b]indol-7-ol;hydrate;hydrochloride?
The canonical SMILES for cyclopenta[b]indol-7-ol;hydrate;hydrochloride is Cl.O.Oc1ccc2c(c1)=C1C=CC=C1N=2.
What is the InChIKey of cyclopenta[b]indol-7-ol;hydrate;hydrochloride?
The InChIKey is JVHSFIRAJVDNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO.ClH.H2O/c13-7-4-5-11-9(6-7)8-2-1-3-10(8)12-11;;/h1-6,13H;1H;1H2.
What are the key properties of cyclopenta[b]indol-7-ol;hydrate;hydrochloride?
cyclopenta[b]indol-7-ol;hydrate;hydrochloride has a molecular weight of 223.66 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[b]indol-7-ol;hydrate;hydrochloride is sourced from PubChem (CID 159034649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).