7-azaspiro[3.5]nonan-2-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride

C13H23ClN2O2 — CID 141412900

IUPAC7-azaspiro[3.5]nonan-2-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(C1CC2(CCNCC2)C1)N1CC[C@@H](O)C1
InChIInChI=1S/C13H22N2O2.ClH/c16-11-1-6-15(9-11)12(17)10-7-13(8-10)2-4-14-5-3-13;/h10-11,14,16H,1-9H2;1H/t11-;/m1./s1
InChIKeyLNZOSHGNUAMHTE-RFVHGSKJSA-N
MW274.79 g/mol
LogP0.78
Rot. Bonds1

About 7-azaspiro[3.5]nonan-2-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride

7-azaspiro[3.5]nonan-2-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 141412900) has the molecular formula C13H23ClN2O2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 7-azaspiro[3.5]nonan-2-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name7-azaspiro[3.5]nonan-2-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride
PubChem CID141412900
Molecular FormulaC13H23ClN2O2
Molecular Weight274.79 g/mol
Exact Mass274.14
IUPAC Name7-azaspiro[3.5]nonan-2-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(C1CC2(CCNCC2)C1)N1CC[C@@H](O)C1
InChIInChI=1S/C13H22N2O2.ClH/c16-11-1-6-15(9-11)12(17)10-7-13(8-10)2-4-14-5-3-13;/h10-11,14,16H,1-9H2;1H/t11-;/m1./s1
InChIKeyLNZOSHGNUAMHTE-RFVHGSKJSA-N
XLogP0.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-azaspiro[3.5]nonan-2-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of 7-azaspiro[3.5]nonan-2-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride (CID 141412900) is 7-azaspiro[3.5]nonan-2-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for 7-azaspiro[3.5]nonan-2-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for 7-azaspiro[3.5]nonan-2-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride is Cl.O=C(C1CC2(CCNCC2)C1)N1CC[C@@H](O)C1.
What is the InChIKey of 7-azaspiro[3.5]nonan-2-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is LNZOSHGNUAMHTE-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H22N2O2.ClH/c16-11-1-6-15(9-11)12(17)10-7-13(8-10)2-4-14-5-3-13;/h10-11,14,16H,1-9H2;1H/t11-;/m1./s1.
What are the key properties of 7-azaspiro[3.5]nonan-2-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride?
7-azaspiro[3.5]nonan-2-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 274.79 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azaspiro[3.5]nonan-2-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 141412900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).