[3-oxo-3-(9-oxo-8-azabicyclo[5.2.0]nonan-8-yl)propyl] 2-methylprop-2-enoate

C15H21NO4 — CID 67963825

IUPAC[3-oxo-3-(9-oxo-8-azabicyclo[5.2.0]nonan-8-yl)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)N1C(=O)C2CCCCCC21
InChIInChI=1S/C15H21NO4/c1-10(2)15(19)20-9-8-13(17)16-12-7-5-3-4-6-11(12)14(16)18/h11-12H,1,3-9H2,2H3
InChIKeyQFSPPPBZWGSMKO-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.81
Rot. Bonds4

About [3-oxo-3-(9-oxo-8-azabicyclo[5.2.0]nonan-8-yl)propyl] 2-methylprop-2-enoate

[3-oxo-3-(9-oxo-8-azabicyclo[5.2.0]nonan-8-yl)propyl] 2-methylprop-2-enoate (PubChem CID 67963825) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is [3-oxo-3-(9-oxo-8-azabicyclo[5.2.0]nonan-8-yl)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-oxo-3-(9-oxo-8-azabicyclo[5.2.0]nonan-8-yl)propyl] 2-methylprop-2-enoate
PubChem CID67963825
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name[3-oxo-3-(9-oxo-8-azabicyclo[5.2.0]nonan-8-yl)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)N1C(=O)C2CCCCCC21
InChIInChI=1S/C15H21NO4/c1-10(2)15(19)20-9-8-13(17)16-12-7-5-3-4-6-11(12)14(16)18/h11-12H,1,3-9H2,2H3
InChIKeyQFSPPPBZWGSMKO-UHFFFAOYSA-N
XLogP1.81
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [3-oxo-3-(9-oxo-8-azabicyclo[5.2.0]nonan-8-yl)propyl] 2-methylprop-2-enoate 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

6-(2-methylprop-2-enoyl)-6-azabicyclo[3.2.0]heptan-7-one
CID 58165399
9-(2-methylprop-2-enoyl)-9-azabicyclo[6.2.0]decan-10-one;6-(2-methylprop-2-enoyl)-6-azabicyclo[3.2.0]heptan-7-one;8-(2-methylprop-2-enoyl)-8-azabicyclo[5.2.0]nonan-9-one;7-(2-methylprop-2-enoyl)-7-azabicyclo[4.2.0]octan-8-one;9-prop-2-enoyl-9-azabicyclo[6.2.0]decan-10-one;6-prop-2-enoyl-6-azabicyclo[3.2.0]heptan-7-one;8-prop-2-enoyl-8-azabicyclo[5.2.0]nonan-9-one;7-prop-2-enoyl-7-azabicyclo[4.2.0]octan-8-one
CID 159613285
2-cyclohexyloxyethyl 2-methylprop-2-enoate
CID 14692693
[3-[4-(aminomethyl)piperidin-1-yl]-3-oxopropyl] 2-methylprop-2-enoate
CID 142038506
3-cyclohexyloxypropyl 2-methylprop-2-enoate
CID 139688731
(5-cyclohexyl-4-oxopentyl) 2-methylprop-2-enoate
CID 58107900
2-(2-methylprop-2-enoyloxy)ethyl 3-cyclohexyl-2-methylprop-2-enoate
CID 174865636
5-cycloheptylpentyl 2-methylprop-2-enoate
CID 164546531
(4-methyl-3-oxopent-4-enyl) 2-methylprop-2-enoate
CID 18739125
2-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 2-methylprop-2-enoate
CID 18314417
[2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate
CID 18956888
[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] 2-methylprop-2-enoate
CID 66795830

Frequently Asked Questions

What is the IUPAC name of [3-oxo-3-(9-oxo-8-azabicyclo[5.2.0]nonan-8-yl)propyl] 2-methylprop-2-enoate?
The IUPAC name of [3-oxo-3-(9-oxo-8-azabicyclo[5.2.0]nonan-8-yl)propyl] 2-methylprop-2-enoate (CID 67963825) is [3-oxo-3-(9-oxo-8-azabicyclo[5.2.0]nonan-8-yl)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-oxo-3-(9-oxo-8-azabicyclo[5.2.0]nonan-8-yl)propyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-oxo-3-(9-oxo-8-azabicyclo[5.2.0]nonan-8-yl)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(=O)N1C(=O)C2CCCCCC21.
What is the InChIKey of [3-oxo-3-(9-oxo-8-azabicyclo[5.2.0]nonan-8-yl)propyl] 2-methylprop-2-enoate?
The InChIKey is QFSPPPBZWGSMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(2)15(19)20-9-8-13(17)16-12-7-5-3-4-6-11(12)14(16)18/h11-12H,1,3-9H2,2H3.
What are the key properties of [3-oxo-3-(9-oxo-8-azabicyclo[5.2.0]nonan-8-yl)propyl] 2-methylprop-2-enoate?
[3-oxo-3-(9-oxo-8-azabicyclo[5.2.0]nonan-8-yl)propyl] 2-methylprop-2-enoate has a molecular weight of 279.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-oxo-3-(9-oxo-8-azabicyclo[5.2.0]nonan-8-yl)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 67963825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).