5,5-dimethyl-4-(2-methylpropyl)morpholin-3-one

C10H19NO2 — CID 23388600

IUPAC5,5-dimethyl-4-(2-methylpropyl)morpholin-3-one
SMILESCC(C)CN1C(=O)COCC1(C)C
InChIInChI=1S/C10H19NO2/c1-8(2)5-11-9(12)6-13-7-10(11,3)4/h8H,5-7H2,1-4H3
InChIKeyCHTDVYWQGVWCRU-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds2

About 5,5-dimethyl-4-(2-methylpropyl)morpholin-3-one

5,5-dimethyl-4-(2-methylpropyl)morpholin-3-one (PubChem CID 23388600) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 5,5-dimethyl-4-(2-methylpropyl)morpholin-3-one.

Molecular Properties

Compound Name5,5-dimethyl-4-(2-methylpropyl)morpholin-3-one
PubChem CID23388600
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name5,5-dimethyl-4-(2-methylpropyl)morpholin-3-one
SMILESCC(C)CN1C(=O)COCC1(C)C
InChIInChI=1S/C10H19NO2/c1-8(2)5-11-9(12)6-13-7-10(11,3)4/h8H,5-7H2,1-4H3
InChIKeyCHTDVYWQGVWCRU-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-(2-methylpropyl)morpholin-3-one?
The IUPAC name of 5,5-dimethyl-4-(2-methylpropyl)morpholin-3-one (CID 23388600) is 5,5-dimethyl-4-(2-methylpropyl)morpholin-3-one.
What is the SMILES notation for 5,5-dimethyl-4-(2-methylpropyl)morpholin-3-one?
The canonical SMILES for 5,5-dimethyl-4-(2-methylpropyl)morpholin-3-one is CC(C)CN1C(=O)COCC1(C)C.
What is the InChIKey of 5,5-dimethyl-4-(2-methylpropyl)morpholin-3-one?
The InChIKey is CHTDVYWQGVWCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)5-11-9(12)6-13-7-10(11,3)4/h8H,5-7H2,1-4H3.
What are the key properties of 5,5-dimethyl-4-(2-methylpropyl)morpholin-3-one?
5,5-dimethyl-4-(2-methylpropyl)morpholin-3-one has a molecular weight of 185.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-(2-methylpropyl)morpholin-3-one is sourced from PubChem (CID 23388600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).