2-cyano-3-(8-methoxy-2H-chromen-3-yl)prop-2-enamide

C14H12N2O3 — CID 4711139

IUPAC2-cyano-3-(8-methoxy-2H-chromen-3-yl)prop-2-enamide
SMILESCOc1cccc2c1OCC(C=C(C#N)C(N)=O)=C2
InChIInChI=1S/C14H12N2O3/c1-18-12-4-2-3-10-5-9(8-19-13(10)12)6-11(7-15)14(16)17/h2-6H,8H2,1H3,(H2,16,17)
InChIKeyNCRANLUECDBOSR-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.41
Rot. Bonds3

About 2-cyano-3-(8-methoxy-2H-chromen-3-yl)prop-2-enamide

2-cyano-3-(8-methoxy-2H-chromen-3-yl)prop-2-enamide (PubChem CID 4711139) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-cyano-3-(8-methoxy-2H-chromen-3-yl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(8-methoxy-2H-chromen-3-yl)prop-2-enamide
PubChem CID4711139
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-cyano-3-(8-methoxy-2H-chromen-3-yl)prop-2-enamide
SMILESCOc1cccc2c1OCC(C=C(C#N)C(N)=O)=C2
InChIInChI=1S/C14H12N2O3/c1-18-12-4-2-3-10-5-9(8-19-13(10)12)6-11(7-15)14(16)17/h2-6H,8H2,1H3,(H2,16,17)
InChIKeyNCRANLUECDBOSR-UHFFFAOYSA-N
XLogP1.41
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cyano-3-(8-methoxy-2H-chromen-3-yl)prop-2-enamide 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

methyl 2-cyano-3-(8-methoxy-2H-chromen-3-yl)prop-2-enoate
CID 4861892
2-cyano-3-(8-methoxy-2H-chromen-3-yl)-N-(2-methoxyethyl)prop-2-enamide
CID 4861893
2-cyano-3-(8-methoxy-2H-chromen-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 4861887
2-[1-fluoro-2-(8-methoxy-2H-chromen-3-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110145
8-methoxy-2H-chromene-3-carboxylate
CID 6933959
(2Z)-2-[(8-methoxy-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 6221358
propan-2-yl (Z)-3-(2H-chromen-3-yl)-2-cyanoprop-2-enoate
CID 47016477
(Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide
CID 2057524
benzyl 8-methoxy-2H-chromene-3-carboxylate
CID 1475910
8-methoxy-2H-chromene-3-sulfonyl fluoride
CID 165460189
3-(2H-chromen-3-yl)-2-cyano-N-ethylprop-2-enamide
CID 962460
(E)-3-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enamide
CID 50885831

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(8-methoxy-2H-chromen-3-yl)prop-2-enamide?
The IUPAC name of 2-cyano-3-(8-methoxy-2H-chromen-3-yl)prop-2-enamide (CID 4711139) is 2-cyano-3-(8-methoxy-2H-chromen-3-yl)prop-2-enamide.
What is the SMILES notation for 2-cyano-3-(8-methoxy-2H-chromen-3-yl)prop-2-enamide?
The canonical SMILES for 2-cyano-3-(8-methoxy-2H-chromen-3-yl)prop-2-enamide is COc1cccc2c1OCC(C=C(C#N)C(N)=O)=C2.
What is the InChIKey of 2-cyano-3-(8-methoxy-2H-chromen-3-yl)prop-2-enamide?
The InChIKey is NCRANLUECDBOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-18-12-4-2-3-10-5-9(8-19-13(10)12)6-11(7-15)14(16)17/h2-6H,8H2,1H3,(H2,16,17).
What are the key properties of 2-cyano-3-(8-methoxy-2H-chromen-3-yl)prop-2-enamide?
2-cyano-3-(8-methoxy-2H-chromen-3-yl)prop-2-enamide has a molecular weight of 256.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(8-methoxy-2H-chromen-3-yl)prop-2-enamide is sourced from PubChem (CID 4711139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).