morpholin-4-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride

C9H17ClN2O2 — CID 45158381

IUPACmorpholin-4-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
SMILESCl.O=C([C@@H]1CCCN1)N1CCOCC1
InChIInChI=1S/C9H16N2O2.ClH/c12-9(8-2-1-3-10-8)11-4-6-13-7-5-11;/h8,10H,1-7H2;1H/t8-;/m0./s1
InChIKeyWHYDWZRQXLECCH-QRPNPIFTSA-N
MW220.70 g/mol
LogP0.02
Rot. Bonds1

About morpholin-4-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride

morpholin-4-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride (PubChem CID 45158381) has the molecular formula C9H17ClN2O2 and a molecular weight of 220.70 g/mol. Its IUPAC name is morpholin-4-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Namemorpholin-4-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
PubChem CID45158381
Molecular FormulaC9H17ClN2O2
Molecular Weight220.70 g/mol
Exact Mass220.10
IUPAC Namemorpholin-4-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
SMILESCl.O=C([C@@H]1CCCN1)N1CCOCC1
InChIInChI=1S/C9H16N2O2.ClH/c12-9(8-2-1-3-10-8)11-4-6-13-7-5-11;/h8,10H,1-7H2;1H/t8-;/m0./s1
InChIKeyWHYDWZRQXLECCH-QRPNPIFTSA-N
XLogP0.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride?
The IUPAC name of morpholin-4-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride (CID 45158381) is morpholin-4-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride.
What is the SMILES notation for morpholin-4-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride?
The canonical SMILES for morpholin-4-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride is Cl.O=C([C@@H]1CCCN1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride?
The InChIKey is WHYDWZRQXLECCH-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H16N2O2.ClH/c12-9(8-2-1-3-10-8)11-4-6-13-7-5-11;/h8,10H,1-7H2;1H/t8-;/m0./s1.
What are the key properties of morpholin-4-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride?
morpholin-4-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride has a molecular weight of 220.70 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride is sourced from PubChem (CID 45158381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).