4-methyl-1-[4-(methylamino)oxolan-3-yl]pent-4-en-1-one

C11H19NO2 — CID 114477902

IUPAC4-methyl-1-[4-(methylamino)oxolan-3-yl]pent-4-en-1-one
SMILESC=C(C)CCC(=O)C1COCC1NC
InChIInChI=1S/C11H19NO2/c1-8(2)4-5-11(13)9-6-14-7-10(9)12-3/h9-10,12H,1,4-7H2,2-3H3
InChIKeyUWFMUKOOLBVKON-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.15
Rot. Bonds5

About 4-methyl-1-[4-(methylamino)oxolan-3-yl]pent-4-en-1-one

4-methyl-1-[4-(methylamino)oxolan-3-yl]pent-4-en-1-one (PubChem CID 114477902) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-methyl-1-[4-(methylamino)oxolan-3-yl]pent-4-en-1-one.

Molecular Properties

Compound Name4-methyl-1-[4-(methylamino)oxolan-3-yl]pent-4-en-1-one
PubChem CID114477902
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-methyl-1-[4-(methylamino)oxolan-3-yl]pent-4-en-1-one
SMILESC=C(C)CCC(=O)C1COCC1NC
InChIInChI=1S/C11H19NO2/c1-8(2)4-5-11(13)9-6-14-7-10(9)12-3/h9-10,12H,1,4-7H2,2-3H3
InChIKeyUWFMUKOOLBVKON-UHFFFAOYSA-N
XLogP1.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
CID 116561287
1-[4-(methylamino)oxolan-3-yl]octan-1-one
CID 116561320
1-[4-(methylamino)oxolan-3-yl]pent-4-yn-1-one
CID 116561489
2-ethoxy-1-[4-(methylamino)oxolan-3-yl]ethanone
CID 116561302
1-[4-(methylamino)oxolan-3-yl]prop-2-en-1-one
CID 116561380
N,N-diethyl-4-(methylamino)oxolane-3-carboxamide
CID 66265754
2-(2,3-difluorophenyl)-1-[4-(methylamino)oxolan-3-yl]ethanone
CID 116561547
N,N-bis(cyanomethyl)-4-(methylamino)oxolane-3-carboxamide
CID 66266554
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(methylamino)oxolan-3-yl]ethanone
CID 116561305
1-[4-(propylamino)oxolan-3-yl]pentan-1-one
CID 116587714
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266610
[4-(methylamino)oxolan-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
CID 66266429

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(methylamino)oxolan-3-yl]pent-4-en-1-one?
The IUPAC name of 4-methyl-1-[4-(methylamino)oxolan-3-yl]pent-4-en-1-one (CID 114477902) is 4-methyl-1-[4-(methylamino)oxolan-3-yl]pent-4-en-1-one.
What is the SMILES notation for 4-methyl-1-[4-(methylamino)oxolan-3-yl]pent-4-en-1-one?
The canonical SMILES for 4-methyl-1-[4-(methylamino)oxolan-3-yl]pent-4-en-1-one is C=C(C)CCC(=O)C1COCC1NC.
What is the InChIKey of 4-methyl-1-[4-(methylamino)oxolan-3-yl]pent-4-en-1-one?
The InChIKey is UWFMUKOOLBVKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)4-5-11(13)9-6-14-7-10(9)12-3/h9-10,12H,1,4-7H2,2-3H3.
What are the key properties of 4-methyl-1-[4-(methylamino)oxolan-3-yl]pent-4-en-1-one?
4-methyl-1-[4-(methylamino)oxolan-3-yl]pent-4-en-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(methylamino)oxolan-3-yl]pent-4-en-1-one is sourced from PubChem (CID 114477902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).