(3R,4S)-4-(furan-2-yl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione

C17H11NO6 — CID 122191718

IUPAC(3R,4S)-4-(furan-2-yl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione
SMILESO=C1C2=C(C(=O)c3ccccc31)[C@H](c1ccco1)[C@@H]([N+](=O)[O-])CO2
InChIInChI=1S/C17H11NO6/c19-15-9-4-1-2-5-10(9)16(20)17-14(15)13(12-6-3-7-23-12)11(8-24-17)18(21)22/h1-7,11,13H,8H2/t11-,13-/m0/s1
InChIKeySAWIIIQAQQCCFO-AAEUAGOBSA-N
MW325.28 g/mol
LogP2.37
Rot. Bonds2

About (3R,4S)-4-(furan-2-yl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione

(3R,4S)-4-(furan-2-yl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione (PubChem CID 122191718) has the molecular formula C17H11NO6 and a molecular weight of 325.28 g/mol. Its IUPAC name is (3R,4S)-4-(furan-2-yl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione.

Molecular Properties

Compound Name(3R,4S)-4-(furan-2-yl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione
PubChem CID122191718
Molecular FormulaC17H11NO6
Molecular Weight325.28 g/mol
Exact Mass325.06
IUPAC Name(3R,4S)-4-(furan-2-yl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione
SMILESO=C1C2=C(C(=O)c3ccccc31)[C@H](c1ccco1)[C@@H]([N+](=O)[O-])CO2
InChIInChI=1S/C17H11NO6/c19-15-9-4-1-2-5-10(9)16(20)17-14(15)13(12-6-3-7-23-12)11(8-24-17)18(21)22/h1-7,11,13H,8H2/t11-,13-/m0/s1
InChIKeySAWIIIQAQQCCFO-AAEUAGOBSA-N
XLogP2.37
TPSA99.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3R,4S)-4-(furan-2-yl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S)-4-(4-methylphenyl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione
CID 122191555
(3S,4R)-3-nitro-4,6-diphenyl-3,4-dihydro-2H-pyran-5-carbonitrile
CID 177475035
5-butyl-10-(furan-2-yl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 3272173
4-(furan-2-yl)-2,6-dimethyl-3-nitro-3,4-dihydropyridine-5-carboxylic acid
CID 54292899
(4S)-2-methyl-3-nitro-4-phenyl-3,4-dihydroindeno[1,2-b]pyridin-5-one
CID 7700112
6,7-dihydroxy-3,12-dioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4,6,8,15,17,19-heptaene-14,21-dione
CID 5271147
11-(furan-2-yl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
CID 3129754
(3S,4R,5R)-5-(furan-2-yl)-4-nitrothiolan-3-ol
CID 102110345
methyl 4-(furan-2-yl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 4047552
3-(furan-2-yl)-2-methylinden-1-one
CID 23727587
(3R)-3-nitronaphthalene-1,2,4-trione
CID 6995589
7-(furan-2-yl)-5-hydroxy-6-nitrobicyclo[3.2.1]octan-2-one
CID 102205281

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(furan-2-yl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione?
The IUPAC name of (3R,4S)-4-(furan-2-yl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione (CID 122191718) is (3R,4S)-4-(furan-2-yl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione.
What is the SMILES notation for (3R,4S)-4-(furan-2-yl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione?
The canonical SMILES for (3R,4S)-4-(furan-2-yl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione is O=C1C2=C(C(=O)c3ccccc31)[C@H](c1ccco1)[C@@H]([N+](=O)[O-])CO2.
What is the InChIKey of (3R,4S)-4-(furan-2-yl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione?
The InChIKey is SAWIIIQAQQCCFO-AAEUAGOBSA-N. The full InChI is InChI=1S/C17H11NO6/c19-15-9-4-1-2-5-10(9)16(20)17-14(15)13(12-6-3-7-23-12)11(8-24-17)18(21)22/h1-7,11,13H,8H2/t11-,13-/m0/s1.
What are the key properties of (3R,4S)-4-(furan-2-yl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione?
(3R,4S)-4-(furan-2-yl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione has a molecular weight of 325.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(furan-2-yl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione is sourced from PubChem (CID 122191718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).