2-[(Z)-2-hydroxy-2-phenylethenyl]-4H-chromeno[3,4-b]pyrazine-3,5-dione

C19H12N2O4 — CID 135408332

IUPAC2-[(Z)-2-hydroxy-2-phenylethenyl]-4H-chromeno[3,4-b]pyrazine-3,5-dione
SMILESO=c1[nH]c2c(=O)oc3ccccc3c2nc1/C=C(\O)c1ccccc1
InChIInChI=1S/C19H12N2O4/c22-14(11-6-2-1-3-7-11)10-13-18(23)21-17-16(20-13)12-8-4-5-9-15(12)25-19(17)24/h1-10,22H,(H,21,23)/b14-10-
InChIKeyWNNANFNNARKBTK-UVTDQMKNSA-N
MW332.32 g/mol
LogP3.09
Rot. Bonds2

About 2-[(Z)-2-hydroxy-2-phenylethenyl]-4H-chromeno[3,4-b]pyrazine-3,5-dione

2-[(Z)-2-hydroxy-2-phenylethenyl]-4H-chromeno[3,4-b]pyrazine-3,5-dione (PubChem CID 135408332) has the molecular formula C19H12N2O4 and a molecular weight of 332.32 g/mol. Its IUPAC name is 2-[(Z)-2-hydroxy-2-phenylethenyl]-4H-chromeno[3,4-b]pyrazine-3,5-dione.

Molecular Properties

Compound Name2-[(Z)-2-hydroxy-2-phenylethenyl]-4H-chromeno[3,4-b]pyrazine-3,5-dione
PubChem CID135408332
Molecular FormulaC19H12N2O4
Molecular Weight332.32 g/mol
Exact Mass332.08
IUPAC Name2-[(Z)-2-hydroxy-2-phenylethenyl]-4H-chromeno[3,4-b]pyrazine-3,5-dione
SMILESO=c1[nH]c2c(=O)oc3ccccc3c2nc1/C=C(\O)c1ccccc1
InChIInChI=1S/C19H12N2O4/c22-14(11-6-2-1-3-7-11)10-13-18(23)21-17-16(20-13)12-8-4-5-9-15(12)25-19(17)24/h1-10,22H,(H,21,23)/b14-10-
InChIKeyWNNANFNNARKBTK-UVTDQMKNSA-N
XLogP3.09
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-3H-chromeno[3,4-d]imidazol-4-one
CID 11208132
2-[(Z)-2-hydroxy-2-phenylethenyl]-3,1-benzoxazin-4-one
CID 135442904
2-(furan-2-yl)-3H-chromeno[3,4-d]imidazol-4-one
CID 10562741
3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135713003
3-(2-hydroxy-2-phenylethenyl)-6-methyl-1,4-benzoxazin-2-one
CID 705110
4-(2,2-diphenylethenyl)-3-phenylchromen-2-one
CID 132820910
3-[(Z)-2-hydroxy-2-phenylethenyl]-7-nitro-1H-quinoxalin-2-one
CID 135493783
3-[(Z)-2-hydroxy-2-naphthalen-1-ylethenyl]-1,4-benzoxazin-2-one
CID 135451187
3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one
CID 135403094
4-bromobutanoic acid;2-(3-bromopropyl)-3H-chromeno[3,4-d]imidazol-4-one;3,4-diaminochromen-2-one
CID 158502414
2-[3-(2-hydroxy-2-phenylethenyl)quinoxalin-2-yl]-1-phenylethenol
CID 507219
(Z)-2-[3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-yl]-1-phenylethenol
CID 135452041

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-hydroxy-2-phenylethenyl]-4H-chromeno[3,4-b]pyrazine-3,5-dione?
The IUPAC name of 2-[(Z)-2-hydroxy-2-phenylethenyl]-4H-chromeno[3,4-b]pyrazine-3,5-dione (CID 135408332) is 2-[(Z)-2-hydroxy-2-phenylethenyl]-4H-chromeno[3,4-b]pyrazine-3,5-dione.
What is the SMILES notation for 2-[(Z)-2-hydroxy-2-phenylethenyl]-4H-chromeno[3,4-b]pyrazine-3,5-dione?
The canonical SMILES for 2-[(Z)-2-hydroxy-2-phenylethenyl]-4H-chromeno[3,4-b]pyrazine-3,5-dione is O=c1[nH]c2c(=O)oc3ccccc3c2nc1/C=C(\O)c1ccccc1.
What is the InChIKey of 2-[(Z)-2-hydroxy-2-phenylethenyl]-4H-chromeno[3,4-b]pyrazine-3,5-dione?
The InChIKey is WNNANFNNARKBTK-UVTDQMKNSA-N. The full InChI is InChI=1S/C19H12N2O4/c22-14(11-6-2-1-3-7-11)10-13-18(23)21-17-16(20-13)12-8-4-5-9-15(12)25-19(17)24/h1-10,22H,(H,21,23)/b14-10-.
What are the key properties of 2-[(Z)-2-hydroxy-2-phenylethenyl]-4H-chromeno[3,4-b]pyrazine-3,5-dione?
2-[(Z)-2-hydroxy-2-phenylethenyl]-4H-chromeno[3,4-b]pyrazine-3,5-dione has a molecular weight of 332.32 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-hydroxy-2-phenylethenyl]-4H-chromeno[3,4-b]pyrazine-3,5-dione is sourced from PubChem (CID 135408332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).