2-cycloheptyl-1H-pyrrole;hydrochloride

C11H18ClN — CID 175314820

IUPAC2-cycloheptyl-1H-pyrrole;hydrochloride
SMILESCl.c1c[nH]c(C2CCCCCC2)c1
InChIInChI=1S/C11H17N.ClH/c1-2-4-7-10(6-3-1)11-8-5-9-12-11;/h5,8-10,12H,1-4,6-7H2;1H
InChIKeyAROMCHGDSGYFQS-UHFFFAOYSA-N
MW199.72 g/mol
LogP3.87
Rot. Bonds1

About 2-cycloheptyl-1H-pyrrole;hydrochloride

2-cycloheptyl-1H-pyrrole;hydrochloride (PubChem CID 175314820) has the molecular formula C11H18ClN and a molecular weight of 199.72 g/mol. Its IUPAC name is 2-cycloheptyl-1H-pyrrole;hydrochloride.

Molecular Properties

Compound Name2-cycloheptyl-1H-pyrrole;hydrochloride
PubChem CID175314820
Molecular FormulaC11H18ClN
Molecular Weight199.72 g/mol
Exact Mass199.11
IUPAC Name2-cycloheptyl-1H-pyrrole;hydrochloride
SMILESCl.c1c[nH]c(C2CCCCCC2)c1
InChIInChI=1S/C11H17N.ClH/c1-2-4-7-10(6-3-1)11-8-5-9-12-11;/h5,8-10,12H,1-4,6-7H2;1H
InChIKeyAROMCHGDSGYFQS-UHFFFAOYSA-N
XLogP3.87
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.72
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1H-pyrrole;hydrochloride?
The IUPAC name of 2-cycloheptyl-1H-pyrrole;hydrochloride (CID 175314820) is 2-cycloheptyl-1H-pyrrole;hydrochloride.
What is the SMILES notation for 2-cycloheptyl-1H-pyrrole;hydrochloride?
The canonical SMILES for 2-cycloheptyl-1H-pyrrole;hydrochloride is Cl.c1c[nH]c(C2CCCCCC2)c1.
What is the InChIKey of 2-cycloheptyl-1H-pyrrole;hydrochloride?
The InChIKey is AROMCHGDSGYFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.ClH/c1-2-4-7-10(6-3-1)11-8-5-9-12-11;/h5,8-10,12H,1-4,6-7H2;1H.
What are the key properties of 2-cycloheptyl-1H-pyrrole;hydrochloride?
2-cycloheptyl-1H-pyrrole;hydrochloride has a molecular weight of 199.72 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1H-pyrrole;hydrochloride is sourced from PubChem (CID 175314820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).