trans-(1R,2S)-2-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;hydrochloride

C13H16Cl2N2 — CID 22884178

IUPACtrans-(1R,2S)-2-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;hydrochloride
SMILESCl.N[C@@H]1CCC[C@H]1c1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C13H15ClN2.ClH/c14-11-5-1-4-9-10(7-16-13(9)11)8-3-2-6-12(8)15;/h1,4-5,7-8,12,16H,2-3,6,15H2;1H/t8-,12+;/m0./s1
InChIKeyYVOBSSRYZBDKNN-JIHQIIETSA-N
MW271.19 g/mol
LogP3.84
Rot. Bonds1

About trans-(1R,2S)-2-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;hydrochloride

trans-(1R,2S)-2-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;hydrochloride (PubChem CID 22884178) has the molecular formula C13H16Cl2N2 and a molecular weight of 271.19 g/mol. Its IUPAC name is trans-(1R,2S)-2-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;hydrochloride
PubChem CID22884178
Molecular FormulaC13H16Cl2N2
Molecular Weight271.19 g/mol
Exact Mass270.07
IUPAC Nametrans-(1R,2S)-2-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;hydrochloride
SMILESCl.N[C@@H]1CCC[C@H]1c1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C13H15ClN2.ClH/c14-11-5-1-4-9-10(7-16-13(9)11)8-3-2-6-12(8)15;/h1,4-5,7-8,12,16H,2-3,6,15H2;1H/t8-,12+;/m0./s1
InChIKeyYVOBSSRYZBDKNN-JIHQIIETSA-N
XLogP3.84
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;hydrochloride?
The IUPAC name of trans-(1R,2S)-2-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;hydrochloride (CID 22884178) is trans-(1R,2S)-2-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1R,2S)-2-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;hydrochloride?
The canonical SMILES for trans-(1R,2S)-2-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;hydrochloride is Cl.N[C@@H]1CCC[C@H]1c1c[nH]c2c(Cl)cccc12.
What is the InChIKey of trans-(1R,2S)-2-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;hydrochloride?
The InChIKey is YVOBSSRYZBDKNN-JIHQIIETSA-N. The full InChI is InChI=1S/C13H15ClN2.ClH/c14-11-5-1-4-9-10(7-16-13(9)11)8-3-2-6-12(8)15;/h1,4-5,7-8,12,16H,2-3,6,15H2;1H/t8-,12+;/m0./s1.
What are the key properties of trans-(1R,2S)-2-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;hydrochloride?
trans-(1R,2S)-2-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;hydrochloride has a molecular weight of 271.19 g/mol, XLogP of 3.84, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 22884178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).