3,3-dimethyl-4-morpholin-4-ylpentan-2-one

C11H21NO2 — CID 13398806

IUPAC3,3-dimethyl-4-morpholin-4-ylpentan-2-one
SMILESCC(=O)C(C)(C)C(C)N1CCOCC1
InChIInChI=1S/C11H21NO2/c1-9(11(3,4)10(2)13)12-5-7-14-8-6-12/h9H,5-8H2,1-4H3
InChIKeyOYOSCVNSLXQYOB-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.32
Rot. Bonds3

About 3,3-dimethyl-4-morpholin-4-ylpentan-2-one

3,3-dimethyl-4-morpholin-4-ylpentan-2-one (PubChem CID 13398806) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3,3-dimethyl-4-morpholin-4-ylpentan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-morpholin-4-ylpentan-2-one
PubChem CID13398806
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3,3-dimethyl-4-morpholin-4-ylpentan-2-one
SMILESCC(=O)C(C)(C)C(C)N1CCOCC1
InChIInChI=1S/C11H21NO2/c1-9(11(3,4)10(2)13)12-5-7-14-8-6-12/h9H,5-8H2,1-4H3
InChIKeyOYOSCVNSLXQYOB-UHFFFAOYSA-N
XLogP1.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine
CID 90180655
2,2,4-trimethyl-5-morpholin-4-ylhexan-3-one
CID 166460737
2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one
CID 23551857
N-(1-morpholin-4-ylethyl)acetamide
CID 20786322
2-[16-(1-carboxyethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanoic acid
CID 15241477
4-(2,2,4,4-tetramethylpentan-3-yl)morpholine
CID 57301157
3-methyl-2-morpholin-4-ylbutanoic acid
CID 43104020
bis(2-morpholin-4-ylpropanamide);hydrate
CID 175797150
2-amino-2-methyl-N-(3-morpholin-4-ylbutan-2-yl)propanamide
CID 119878462
4,4-dimethyl-3-morpholin-4-ylpentanoic acid
CID 64526552
methyl (2R)-2-morpholin-4-ylpropanoate
CID 30030777
2-methyl-N-(2-morpholin-4-ylpropyl)prop-2-enamide
CID 102248451

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-morpholin-4-ylpentan-2-one?
The IUPAC name of 3,3-dimethyl-4-morpholin-4-ylpentan-2-one (CID 13398806) is 3,3-dimethyl-4-morpholin-4-ylpentan-2-one.
What is the SMILES notation for 3,3-dimethyl-4-morpholin-4-ylpentan-2-one?
The canonical SMILES for 3,3-dimethyl-4-morpholin-4-ylpentan-2-one is CC(=O)C(C)(C)C(C)N1CCOCC1.
What is the InChIKey of 3,3-dimethyl-4-morpholin-4-ylpentan-2-one?
The InChIKey is OYOSCVNSLXQYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(11(3,4)10(2)13)12-5-7-14-8-6-12/h9H,5-8H2,1-4H3.
What are the key properties of 3,3-dimethyl-4-morpholin-4-ylpentan-2-one?
3,3-dimethyl-4-morpholin-4-ylpentan-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-morpholin-4-ylpentan-2-one is sourced from PubChem (CID 13398806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).