7,9-dimethyl-3H-chromeno[4,3-d]pyrazol-4-one

C12H10N2O2 — CID 14293860

IUPAC7,9-dimethyl-3H-chromeno[4,3-d]pyrazol-4-one
SMILESCc1cc(C)c2c(c1)oc(=O)c1[nH]ncc12
InChIInChI=1S/C12H10N2O2/c1-6-3-7(2)10-8-5-13-14-11(8)12(15)16-9(10)4-6/h3-5H,1-2H3,(H,13,14)
InChIKeyVFWHWVGBSZYYDC-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.29
Rot. Bonds

About 7,9-dimethyl-3H-chromeno[4,3-d]pyrazol-4-one

7,9-dimethyl-3H-chromeno[4,3-d]pyrazol-4-one (PubChem CID 14293860) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 7,9-dimethyl-3H-chromeno[4,3-d]pyrazol-4-one.

Molecular Properties

Compound Name7,9-dimethyl-3H-chromeno[4,3-d]pyrazol-4-one
PubChem CID14293860
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name7,9-dimethyl-3H-chromeno[4,3-d]pyrazol-4-one
SMILESCc1cc(C)c2c(c1)oc(=O)c1[nH]ncc12
InChIInChI=1S/C12H10N2O2/c1-6-3-7(2)10-8-5-13-14-11(8)12(15)16-9(10)4-6/h3-5H,1-2H3,(H,13,14)
InChIKeyVFWHWVGBSZYYDC-UHFFFAOYSA-N
XLogP2.29
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-3H-chromeno[4,3-d]pyrazol-4-one?
The IUPAC name of 7,9-dimethyl-3H-chromeno[4,3-d]pyrazol-4-one (CID 14293860) is 7,9-dimethyl-3H-chromeno[4,3-d]pyrazol-4-one.
What is the SMILES notation for 7,9-dimethyl-3H-chromeno[4,3-d]pyrazol-4-one?
The canonical SMILES for 7,9-dimethyl-3H-chromeno[4,3-d]pyrazol-4-one is Cc1cc(C)c2c(c1)oc(=O)c1[nH]ncc12.
What is the InChIKey of 7,9-dimethyl-3H-chromeno[4,3-d]pyrazol-4-one?
The InChIKey is VFWHWVGBSZYYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-6-3-7(2)10-8-5-13-14-11(8)12(15)16-9(10)4-6/h3-5H,1-2H3,(H,13,14).
What are the key properties of 7,9-dimethyl-3H-chromeno[4,3-d]pyrazol-4-one?
7,9-dimethyl-3H-chromeno[4,3-d]pyrazol-4-one has a molecular weight of 214.22 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-3H-chromeno[4,3-d]pyrazol-4-one is sourced from PubChem (CID 14293860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).