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

C20H15NO6 — CID 86207609

IUPAC9-(3-nitrophenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCC(C)=C1Oc2c(ccc3c2C(c2cccc([N+](=O)[O-])c2)CC(=O)O3)C1=O
InChIInChI=1S/C20H15NO6/c1-10(2)19-18(23)13-6-7-15-17(20(13)27-19)14(9-16(22)26-15)11-4-3-5-12(8-11)21(24)25/h3-8,14H,9H2,1-2H3
InChIKeyYLMTZBVMKKQZQA-UHFFFAOYSA-N
MW365.34 g/mol
LogP3.90
Rot. Bonds2

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

9-(3-nitrophenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 86207609) has the molecular formula C20H15NO6 and a molecular weight of 365.34 g/mol. Its IUPAC name is 9-(3-nitrophenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name9-(3-nitrophenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID86207609
Molecular FormulaC20H15NO6
Molecular Weight365.34 g/mol
Exact Mass365.09
IUPAC Name9-(3-nitrophenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCC(C)=C1Oc2c(ccc3c2C(c2cccc([N+](=O)[O-])c2)CC(=O)O3)C1=O
InChIInChI=1S/C20H15NO6/c1-10(2)19-18(23)13-6-7-15-17(20(13)27-19)14(9-16(22)26-15)11-4-3-5-12(8-11)21(24)25/h3-8,14H,9H2,1-2H3
InChIKeyYLMTZBVMKKQZQA-UHFFFAOYSA-N
XLogP3.90
TPSA95.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(9R)-9-phenyl-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99991709
(9S)-9-phenyl-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99991705
(9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99986881
(9R)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99988448
2-[5-[(9R)-3,7-dioxo-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromen-9-yl]-2-methoxyphenoxy]acetamide
CID 99996864
methyl (4R)-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydropyran-5-carboxylate
CID 71734741
(10S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-(3-nitrophenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97487711
(2Z,9S)-2-(furan-2-ylmethylidene)-9-(3-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124879750
(2Z,9S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(3-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124879602
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(3-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163090720
4-acetyl-5-(3-nitrophenyl)oxolan-2-one
CID 3068265
6-hydroxy-2-(3-nitrophenyl)-2,3-dihydrochromen-4-one
CID 157444606

Frequently Asked Questions

What is the IUPAC name of 9-(3-nitrophenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of 9-(3-nitrophenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 86207609) is 9-(3-nitrophenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for 9-(3-nitrophenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for 9-(3-nitrophenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is CC(C)=C1Oc2c(ccc3c2C(c2cccc([N+](=O)[O-])c2)CC(=O)O3)C1=O.
What is the InChIKey of 9-(3-nitrophenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is YLMTZBVMKKQZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO6/c1-10(2)19-18(23)13-6-7-15-17(20(13)27-19)14(9-16(22)26-15)11-4-3-5-12(8-11)21(24)25/h3-8,14H,9H2,1-2H3.
What are the key properties of 9-(3-nitrophenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
9-(3-nitrophenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 365.34 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-nitrophenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 86207609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).