(9R)-2-propan-2-ylidene-9-(2-propan-2-ylpyrazol-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C20H20N2O4 — CID 99994306

IUPAC(9R)-2-propan-2-ylidene-9-(2-propan-2-ylpyrazol-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCC(C)=C1Oc2c(ccc3c2[C@H](c2ccnn2C(C)C)CC(=O)O3)C1=O
InChIInChI=1S/C20H20N2O4/c1-10(2)19-18(24)12-5-6-15-17(20(12)26-19)13(9-16(23)25-15)14-7-8-21-22(14)11(3)4/h5-8,11,13H,9H2,1-4H3/t13-/m0/s1
InChIKeyAMNYBHKTAIPKHN-ZDUSSCGKSA-N
MW352.39 g/mol
LogP3.77
Rot. Bonds2

About (9R)-2-propan-2-ylidene-9-(2-propan-2-ylpyrazol-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(9R)-2-propan-2-ylidene-9-(2-propan-2-ylpyrazol-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 99994306) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (9R)-2-propan-2-ylidene-9-(2-propan-2-ylpyrazol-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name(9R)-2-propan-2-ylidene-9-(2-propan-2-ylpyrazol-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID99994306
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(9R)-2-propan-2-ylidene-9-(2-propan-2-ylpyrazol-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCC(C)=C1Oc2c(ccc3c2[C@H](c2ccnn2C(C)C)CC(=O)O3)C1=O
InChIInChI=1S/C20H20N2O4/c1-10(2)19-18(24)12-5-6-15-17(20(12)26-19)13(9-16(23)25-15)14-7-8-21-22(14)11(3)4/h5-8,11,13H,9H2,1-4H3/t13-/m0/s1
InChIKeyAMNYBHKTAIPKHN-ZDUSSCGKSA-N
XLogP3.77
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (9R)-2-propan-2-ylidene-9-(2-propan-2-ylpyrazol-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of (9R)-2-propan-2-ylidene-9-(2-propan-2-ylpyrazol-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 99994306) is (9R)-2-propan-2-ylidene-9-(2-propan-2-ylpyrazol-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for (9R)-2-propan-2-ylidene-9-(2-propan-2-ylpyrazol-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for (9R)-2-propan-2-ylidene-9-(2-propan-2-ylpyrazol-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is CC(C)=C1Oc2c(ccc3c2[C@H](c2ccnn2C(C)C)CC(=O)O3)C1=O.
What is the InChIKey of (9R)-2-propan-2-ylidene-9-(2-propan-2-ylpyrazol-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is AMNYBHKTAIPKHN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-10(2)19-18(24)12-5-6-15-17(20(12)26-19)13(9-16(23)25-15)14-7-8-21-22(14)11(3)4/h5-8,11,13H,9H2,1-4H3/t13-/m0/s1.
What are the key properties of (9R)-2-propan-2-ylidene-9-(2-propan-2-ylpyrazol-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
(9R)-2-propan-2-ylidene-9-(2-propan-2-ylpyrazol-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 352.39 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-2-propan-2-ylidene-9-(2-propan-2-ylpyrazol-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 99994306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).