2-methylpropyl (2Z)-2-cyano-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate

C15H15N3O3 — CID 10755545

IUPAC2-methylpropyl (2Z)-2-cyano-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate
SMILESCC(C)COC(=O)/C(C#N)=C1\Nc2ccccc2NC1=O
InChIInChI=1S/C15H15N3O3/c1-9(2)8-21-15(20)10(7-16)13-14(19)18-12-6-4-3-5-11(12)17-13/h3-6,9,17H,8H2,1-2H3,(H,18,19)/b13-10-
InChIKeyZDRMVDHTWMPGNI-RAXLEYEMSA-N
MW285.30 g/mol
LogP2.03
Rot. Bonds3

About 2-methylpropyl (2Z)-2-cyano-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate

2-methylpropyl (2Z)-2-cyano-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate (PubChem CID 10755545) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-methylpropyl (2Z)-2-cyano-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate.

Molecular Properties

Compound Name2-methylpropyl (2Z)-2-cyano-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate
PubChem CID10755545
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-methylpropyl (2Z)-2-cyano-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate
SMILESCC(C)COC(=O)/C(C#N)=C1\Nc2ccccc2NC1=O
InChIInChI=1S/C15H15N3O3/c1-9(2)8-21-15(20)10(7-16)13-14(19)18-12-6-4-3-5-11(12)17-13/h3-6,9,17H,8H2,1-2H3,(H,18,19)/b13-10-
InChIKeyZDRMVDHTWMPGNI-RAXLEYEMSA-N
XLogP2.03
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methylpropyl (2Z)-2-cyano-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (2Z)-2-cyano-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate?
The IUPAC name of 2-methylpropyl (2Z)-2-cyano-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate (CID 10755545) is 2-methylpropyl (2Z)-2-cyano-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate.
What is the SMILES notation for 2-methylpropyl (2Z)-2-cyano-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate?
The canonical SMILES for 2-methylpropyl (2Z)-2-cyano-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate is CC(C)COC(=O)/C(C#N)=C1\Nc2ccccc2NC1=O.
What is the InChIKey of 2-methylpropyl (2Z)-2-cyano-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate?
The InChIKey is ZDRMVDHTWMPGNI-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9(2)8-21-15(20)10(7-16)13-14(19)18-12-6-4-3-5-11(12)17-13/h3-6,9,17H,8H2,1-2H3,(H,18,19)/b13-10-.
What are the key properties of 2-methylpropyl (2Z)-2-cyano-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate?
2-methylpropyl (2Z)-2-cyano-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate has a molecular weight of 285.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (2Z)-2-cyano-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate is sourced from PubChem (CID 10755545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).