2-methyl-1H-chromeno[4,3-c]pyrazole-3,7-dione

C11H8N2O3 — CID 13445624

IUPAC2-methyl-1H-chromeno[4,3-c]pyrazole-3,7-dione
SMILESCn1[nH]c2c3ccc(=O)cc-3occ2c1=O
InChIInChI=1S/C11H8N2O3/c1-13-11(15)8-5-16-9-4-6(14)2-3-7(9)10(8)12-13/h2-5,12H,1H3
InChIKeyZKNNXJMGBMSXHN-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.92
Rot. Bonds

About 2-methyl-1H-chromeno[4,3-c]pyrazole-3,7-dione

2-methyl-1H-chromeno[4,3-c]pyrazole-3,7-dione (PubChem CID 13445624) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-methyl-1H-chromeno[4,3-c]pyrazole-3,7-dione.

Molecular Properties

Compound Name2-methyl-1H-chromeno[4,3-c]pyrazole-3,7-dione
PubChem CID13445624
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name2-methyl-1H-chromeno[4,3-c]pyrazole-3,7-dione
SMILESCn1[nH]c2c3ccc(=O)cc-3occ2c1=O
InChIInChI=1S/C11H8N2O3/c1-13-11(15)8-5-16-9-4-6(14)2-3-7(9)10(8)12-13/h2-5,12H,1H3
InChIKeyZKNNXJMGBMSXHN-UHFFFAOYSA-N
XLogP0.92
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-2-methyl-1H-indazol-3-one
CID 59796798
4-methoxyfuro[2,3-b]chromen-7-one
CID 132531398
ethane;3-methyl-2H-phthalazine-1,4-dione
CID 162182328
2-(2,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrazole-3,7-dione
CID 46329182
5-(2,5-dimethylphenyl)-2,4-dimethyl-1H-pyrazol-3-one
CID 98079127
9-(2,5-dimethylphenyl)-6-methylxanthen-3-one
CID 159816999
4-(3,7-dioxo-1H-chromeno[2,3-c]pyrazol-2-yl)benzoic acid
CID 50784755
5-(aminomethyl)-2-methylisoindole-1,3-dione
CID 82404123
2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one
CID 143285060
9-tert-butyl-6-hydroxyxanthen-3-one
CID 59334151
2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione
CID 161253964
2-methyl-6-(4-piperidin-1-ylanilino)-1H-indazol-3-one
CID 167300637

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-chromeno[4,3-c]pyrazole-3,7-dione?
The IUPAC name of 2-methyl-1H-chromeno[4,3-c]pyrazole-3,7-dione (CID 13445624) is 2-methyl-1H-chromeno[4,3-c]pyrazole-3,7-dione.
What is the SMILES notation for 2-methyl-1H-chromeno[4,3-c]pyrazole-3,7-dione?
The canonical SMILES for 2-methyl-1H-chromeno[4,3-c]pyrazole-3,7-dione is Cn1[nH]c2c3ccc(=O)cc-3occ2c1=O.
What is the InChIKey of 2-methyl-1H-chromeno[4,3-c]pyrazole-3,7-dione?
The InChIKey is ZKNNXJMGBMSXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c1-13-11(15)8-5-16-9-4-6(14)2-3-7(9)10(8)12-13/h2-5,12H,1H3.
What are the key properties of 2-methyl-1H-chromeno[4,3-c]pyrazole-3,7-dione?
2-methyl-1H-chromeno[4,3-c]pyrazole-3,7-dione has a molecular weight of 216.20 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-chromeno[4,3-c]pyrazole-3,7-dione is sourced from PubChem (CID 13445624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).