(5S)-5-(2-methylpropyl)morpholin-3-one

C8H15NO2 — CID 15225763

IUPAC(5S)-5-(2-methylpropyl)morpholin-3-one
SMILESCC(C)C[C@H]1COCC(=O)N1
InChIInChI=1S/C8H15NO2/c1-6(2)3-7-4-11-5-8(10)9-7/h6-7H,3-5H2,1-2H3,(H,9,10)/t7-/m0/s1
InChIKeyDEWNYTYFDBHKCT-ZETCQYMHSA-N
MW157.21 g/mol
LogP0.55
Rot. Bonds2

About (5S)-5-(2-methylpropyl)morpholin-3-one

(5S)-5-(2-methylpropyl)morpholin-3-one (PubChem CID 15225763) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (5S)-5-(2-methylpropyl)morpholin-3-one.

Molecular Properties

Compound Name(5S)-5-(2-methylpropyl)morpholin-3-one
PubChem CID15225763
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(5S)-5-(2-methylpropyl)morpholin-3-one
SMILESCC(C)C[C@H]1COCC(=O)N1
InChIInChI=1S/C8H15NO2/c1-6(2)3-7-4-11-5-8(10)9-7/h6-7H,3-5H2,1-2H3,(H,9,10)/t7-/m0/s1
InChIKeyDEWNYTYFDBHKCT-ZETCQYMHSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-methylpropyl)morpholin-3-one?
The IUPAC name of (5S)-5-(2-methylpropyl)morpholin-3-one (CID 15225763) is (5S)-5-(2-methylpropyl)morpholin-3-one.
What is the SMILES notation for (5S)-5-(2-methylpropyl)morpholin-3-one?
The canonical SMILES for (5S)-5-(2-methylpropyl)morpholin-3-one is CC(C)C[C@H]1COCC(=O)N1.
What is the InChIKey of (5S)-5-(2-methylpropyl)morpholin-3-one?
The InChIKey is DEWNYTYFDBHKCT-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)3-7-4-11-5-8(10)9-7/h6-7H,3-5H2,1-2H3,(H,9,10)/t7-/m0/s1.
What are the key properties of (5S)-5-(2-methylpropyl)morpholin-3-one?
(5S)-5-(2-methylpropyl)morpholin-3-one has a molecular weight of 157.21 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-methylpropyl)morpholin-3-one is sourced from PubChem (CID 15225763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).