(4S)-2-amino-4-methyl-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile

C15H10N2O3 — CID 28611998

IUPAC(4S)-2-amino-4-methyl-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
SMILESC[C@H]1C(C#N)=C(N)OC2=C1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10N2O3/c1-7-10(6-16)15(17)20-14-11(7)12(18)8-4-2-3-5-9(8)13(14)19/h2-5,7H,17H2,1H3/t7-/m0/s1
InChIKeyJMUIWFZUCPJXKV-ZETCQYMHSA-N
MW266.26 g/mol
LogP1.68
Rot. Bonds

About (4S)-2-amino-4-methyl-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile

(4S)-2-amino-4-methyl-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile (PubChem CID 28611998) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is (4S)-2-amino-4-methyl-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile.

Molecular Properties

Compound Name(4S)-2-amino-4-methyl-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
PubChem CID28611998
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name(4S)-2-amino-4-methyl-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
SMILESC[C@H]1C(C#N)=C(N)OC2=C1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10N2O3/c1-7-10(6-16)15(17)20-14-11(7)12(18)8-4-2-3-5-9(8)13(14)19/h2-5,7H,17H2,1H3/t7-/m0/s1
InChIKeyJMUIWFZUCPJXKV-ZETCQYMHSA-N
XLogP1.68
TPSA93.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

(4R)-2-amino-4-methyl-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 51603575
(4R)-2-amino-4-(4-methylphenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 92652790
(4S)-2-amino-4-(4-methylphenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 28611929
2-amino-4-(2-hydroxyphenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 102301020
(4S)-2-amino-4-(4-hydroxyphenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 7353433
(4R)-2-amino-4-(4-hydroxyphenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 7353432
(4S)-2-amino-4-(2-chlorophenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 28611974
(4R)-2-amino-4-(4-methylsulfanylphenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 92652799
2-amino-4-(2-methoxyphenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 2844703
2-amino-5-oxo-4-phenyl-4H-indeno[1,2-b]pyran-3-carbonitrile
CID 5062571
2-amino-5,10-dioxo-4-(3-phenoxyphenyl)-4H-benzo[g]chromene-3-carbonitrile
CID 25249030
2-amino-5,10-dioxo-4-[3-(trifluoromethyl)phenyl]-4H-benzo[g]chromene-3-carbonitrile
CID 2844714

Frequently Asked Questions

What is the IUPAC name of (4S)-2-amino-4-methyl-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile?
The IUPAC name of (4S)-2-amino-4-methyl-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile (CID 28611998) is (4S)-2-amino-4-methyl-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile.
What is the SMILES notation for (4S)-2-amino-4-methyl-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile?
The canonical SMILES for (4S)-2-amino-4-methyl-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile is C[C@H]1C(C#N)=C(N)OC2=C1C(=O)c1ccccc1C2=O.
What is the InChIKey of (4S)-2-amino-4-methyl-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile?
The InChIKey is JMUIWFZUCPJXKV-ZETCQYMHSA-N. The full InChI is InChI=1S/C15H10N2O3/c1-7-10(6-16)15(17)20-14-11(7)12(18)8-4-2-3-5-9(8)13(14)19/h2-5,7H,17H2,1H3/t7-/m0/s1.
What are the key properties of (4S)-2-amino-4-methyl-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile?
(4S)-2-amino-4-methyl-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile has a molecular weight of 266.26 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-amino-4-methyl-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile is sourced from PubChem (CID 28611998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).