[(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride

C13H25ClN2O — CID 119934542

IUPAC[(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride
SMILESCl.N[C@H]1CCN(C(=O)C2CCCCCCC2)C1
InChIInChI=1S/C13H24N2O.ClH/c14-12-8-9-15(10-12)13(16)11-6-4-2-1-3-5-7-11;/h11-12H,1-10,14H2;1H/t12-;/m0./s1
InChIKeyUCUODNUHOJIWMI-YDALLXLXSA-N
MW260.81 g/mol
LogP2.33
Rot. Bonds1

About [(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride

[(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride (PubChem CID 119934542) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is [(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride.

Molecular Properties

Compound Name[(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride
PubChem CID119934542
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name[(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride
SMILESCl.N[C@H]1CCN(C(=O)C2CCCCCCC2)C1
InChIInChI=1S/C13H24N2O.ClH/c14-12-8-9-15(10-12)13(16)11-6-4-2-1-3-5-7-11;/h11-12H,1-10,14H2;1H/t12-;/m0./s1
InChIKeyUCUODNUHOJIWMI-YDALLXLXSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260304
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone
CID 62067909
(4-aminopiperidin-1-yl)-cyclobutylmethanone
CID 16777962
[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260151
1-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 119413592
(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
CID 79868589
[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 65019049
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 119411060
cyclohexyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260468
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 80553884
(4-aminopiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 119376301

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride?
The IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride (CID 119934542) is [(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride.
What is the SMILES notation for [(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride?
The canonical SMILES for [(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride is Cl.N[C@H]1CCN(C(=O)C2CCCCCCC2)C1.
What is the InChIKey of [(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride?
The InChIKey is UCUODNUHOJIWMI-YDALLXLXSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c14-12-8-9-15(10-12)13(16)11-6-4-2-1-3-5-7-11;/h11-12H,1-10,14H2;1H/t12-;/m0./s1.
What are the key properties of [(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride?
[(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride is sourced from PubChem (CID 119934542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).