[(3S,4S)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone;hydrochloride

C10H19ClN2O2 — CID 119031893

IUPAC[(3S,4S)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone;hydrochloride
SMILESC[C@@H]1CNC[C@H]1C(=O)N1CCOCC1.Cl
InChIInChI=1S/C10H18N2O2.ClH/c1-8-6-11-7-9(8)10(13)12-2-4-14-5-3-12;/h8-9,11H,2-7H2,1H3;1H/t8-,9-;/m1./s1
InChIKeyIKLGZHCANBKWGP-VTLYIQCISA-N
MW234.73 g/mol
LogP0.12
Rot. Bonds1

About [(3S,4S)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone;hydrochloride

[(3S,4S)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone;hydrochloride (PubChem CID 119031893) has the molecular formula C10H19ClN2O2 and a molecular weight of 234.73 g/mol. Its IUPAC name is [(3S,4S)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[(3S,4S)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone;hydrochloride
PubChem CID119031893
Molecular FormulaC10H19ClN2O2
Molecular Weight234.73 g/mol
Exact Mass234.11
IUPAC Name[(3S,4S)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone;hydrochloride
SMILESC[C@@H]1CNC[C@H]1C(=O)N1CCOCC1.Cl
InChIInChI=1S/C10H18N2O2.ClH/c1-8-6-11-7-9(8)10(13)12-2-4-14-5-3-12;/h8-9,11H,2-7H2,1H3;1H/t8-,9-;/m1./s1
InChIKeyIKLGZHCANBKWGP-VTLYIQCISA-N
XLogP0.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone;hydrochloride?
The IUPAC name of [(3S,4S)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone;hydrochloride (CID 119031893) is [(3S,4S)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone;hydrochloride.
What is the SMILES notation for [(3S,4S)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone;hydrochloride?
The canonical SMILES for [(3S,4S)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone;hydrochloride is C[C@@H]1CNC[C@H]1C(=O)N1CCOCC1.Cl.
What is the InChIKey of [(3S,4S)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone;hydrochloride?
The InChIKey is IKLGZHCANBKWGP-VTLYIQCISA-N. The full InChI is InChI=1S/C10H18N2O2.ClH/c1-8-6-11-7-9(8)10(13)12-2-4-14-5-3-12;/h8-9,11H,2-7H2,1H3;1H/t8-,9-;/m1./s1.
What are the key properties of [(3S,4S)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone;hydrochloride?
[(3S,4S)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone;hydrochloride has a molecular weight of 234.73 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 119031893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).