2-cycloheptylpyrrolidine;hydrochloride

C11H22ClN — CID 115023231

IUPAC2-cycloheptylpyrrolidine;hydrochloride
SMILESC1CCCC(C2CCCN2)CC1.Cl
InChIInChI=1S/C11H21N.ClH/c1-2-4-7-10(6-3-1)11-8-5-9-12-11;/h10-12H,1-9H2;1H
InChIKeyMNQFWMPKTHRLGH-UHFFFAOYSA-N
MW203.76 g/mol
LogP3.13
Rot. Bonds1

About 2-cycloheptylpyrrolidine;hydrochloride

2-cycloheptylpyrrolidine;hydrochloride (PubChem CID 115023231) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is 2-cycloheptylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-cycloheptylpyrrolidine;hydrochloride
PubChem CID115023231
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Name2-cycloheptylpyrrolidine;hydrochloride
SMILESC1CCCC(C2CCCN2)CC1.Cl
InChIInChI=1S/C11H21N.ClH/c1-2-4-7-10(6-3-1)11-8-5-9-12-11;/h10-12H,1-9H2;1H
InChIKeyMNQFWMPKTHRLGH-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptylpyrrolidine;hydrochloride?
The IUPAC name of 2-cycloheptylpyrrolidine;hydrochloride (CID 115023231) is 2-cycloheptylpyrrolidine;hydrochloride.
What is the SMILES notation for 2-cycloheptylpyrrolidine;hydrochloride?
The canonical SMILES for 2-cycloheptylpyrrolidine;hydrochloride is C1CCCC(C2CCCN2)CC1.Cl.
What is the InChIKey of 2-cycloheptylpyrrolidine;hydrochloride?
The InChIKey is MNQFWMPKTHRLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.ClH/c1-2-4-7-10(6-3-1)11-8-5-9-12-11;/h10-12H,1-9H2;1H.
What are the key properties of 2-cycloheptylpyrrolidine;hydrochloride?
2-cycloheptylpyrrolidine;hydrochloride has a molecular weight of 203.76 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptylpyrrolidine;hydrochloride is sourced from PubChem (CID 115023231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).