4-ethyl-5-methyl-1-[(E)-prop-1-enyl]-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione

C11H15NO3 — CID 143575952

IUPAC4-ethyl-5-methyl-1-[(E)-prop-1-enyl]-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
SMILESC/C=C/C12NC(=O)C(CC)C1(C)OC2=O
InChIInChI=1S/C11H15NO3/c1-4-6-11-9(14)15-10(11,3)7(5-2)8(13)12-11/h4,6-7H,5H2,1-3H3,(H,12,13)/b6-4+
InChIKeyZFROQJXTKLQNLP-GQCTYLIASA-N
MW209.24 g/mol
LogP0.77
Rot. Bonds2

About 4-ethyl-5-methyl-1-[(E)-prop-1-enyl]-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione

4-ethyl-5-methyl-1-[(E)-prop-1-enyl]-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione (PubChem CID 143575952) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 4-ethyl-5-methyl-1-[(E)-prop-1-enyl]-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione.

Molecular Properties

Compound Name4-ethyl-5-methyl-1-[(E)-prop-1-enyl]-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
PubChem CID143575952
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name4-ethyl-5-methyl-1-[(E)-prop-1-enyl]-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
SMILESC/C=C/C12NC(=O)C(CC)C1(C)OC2=O
InChIInChI=1S/C11H15NO3/c1-4-6-11-9(14)15-10(11,3)7(5-2)8(13)12-11/h4,6-7H,5H2,1-3H3,(H,12,13)/b6-4+
InChIKeyZFROQJXTKLQNLP-GQCTYLIASA-N
XLogP0.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethyl-5-methyl-1-[(E)-prop-1-enyl]-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-bromoethyl)-5-methyl-3,7-dioxo-6-oxa-2-azabicyclo[3.2.0]heptane-1-carbaldehyde
CID 16722255
2-[(4-ethyl-5-methyl-3,7-dioxo-6-oxa-2-azabicyclo[3.2.0]heptan-1-yl)-hydroxymethyl]hexanedial
CID 89320486
1-(aminomethyl)-4-ethyl-5,7-dimethyl-6-oxa-2,7-diazabicyclo[3.2.0]heptan-3-one
CID 143323762
(1S,4S,5R)-1-[[(1R)-cyclohex-2-en-1-yl]-hydroxymethyl]-4-ethyl-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 58112203
(1S,5R)-4-(2-chloroethyl)-1-(1-hydroxy-2-methylpropyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 156566401
4-(2-chloroethyl)-1-(1-hydroxy-2-methylpropyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 72771140
3,4,4-tris[(Z)-prop-1-enyl]-3-[(E)-prop-1-enyl]oxolane-2,5-dione
CID 98570979
3,3,4,4-tetrakis[(E)-prop-1-enyl]oxolane-2,5-dione
CID 6288603
4-ethyl-3,3-dimethylpyrrolidine-2,5-dione
CID 523535
(3E)-3-(chloromethylidene)-4-ethyl-5,5-dimethyloxolan-2-one
CID 14594385
(1R,4R,5S)-4-(2-chloroethyl)-1-(1-hydroxyhept-6-enyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 145491187
4-ethyl-3,5-dimethyl-5-[(E)-prop-1-enyl]oxan-2-one
CID 10035584

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-1-[(E)-prop-1-enyl]-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
The IUPAC name of 4-ethyl-5-methyl-1-[(E)-prop-1-enyl]-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione (CID 143575952) is 4-ethyl-5-methyl-1-[(E)-prop-1-enyl]-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione.
What is the SMILES notation for 4-ethyl-5-methyl-1-[(E)-prop-1-enyl]-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
The canonical SMILES for 4-ethyl-5-methyl-1-[(E)-prop-1-enyl]-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione is C/C=C/C12NC(=O)C(CC)C1(C)OC2=O.
What is the InChIKey of 4-ethyl-5-methyl-1-[(E)-prop-1-enyl]-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
The InChIKey is ZFROQJXTKLQNLP-GQCTYLIASA-N. The full InChI is InChI=1S/C11H15NO3/c1-4-6-11-9(14)15-10(11,3)7(5-2)8(13)12-11/h4,6-7H,5H2,1-3H3,(H,12,13)/b6-4+.
What are the key properties of 4-ethyl-5-methyl-1-[(E)-prop-1-enyl]-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
4-ethyl-5-methyl-1-[(E)-prop-1-enyl]-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione has a molecular weight of 209.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-1-[(E)-prop-1-enyl]-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione is sourced from PubChem (CID 143575952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).