7-chloro-2-(furan-2-ylmethyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H13ClN2O6 — CID 4918987

IUPAC7-chloro-2-(furan-2-ylmethyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc([N+](=O)[O-])c2)N1Cc1ccco1
InChIInChI=1S/C22H13ClN2O6/c23-13-6-7-17-16(10-13)20(26)18-19(12-3-1-4-14(9-12)25(28)29)24(22(27)21(18)31-17)11-15-5-2-8-30-15/h1-10,19H,11H2
InChIKeyJBDNENXGOGSNMV-UHFFFAOYSA-N
MW436.81 g/mol
LogP4.69
Rot. Bonds4

About 7-chloro-2-(furan-2-ylmethyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-2-(furan-2-ylmethyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4918987) has the molecular formula C22H13ClN2O6 and a molecular weight of 436.81 g/mol. Its IUPAC name is 7-chloro-2-(furan-2-ylmethyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-2-(furan-2-ylmethyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4918987
Molecular FormulaC22H13ClN2O6
Molecular Weight436.81 g/mol
Exact Mass436.05
IUPAC Name7-chloro-2-(furan-2-ylmethyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc([N+](=O)[O-])c2)N1Cc1ccco1
InChIInChI=1S/C22H13ClN2O6/c23-13-6-7-17-16(10-13)20(26)18-19(12-3-1-4-14(9-12)25(28)29)24(22(27)21(18)31-17)11-15-5-2-8-30-15/h1-10,19H,11H2
InChIKeyJBDNENXGOGSNMV-UHFFFAOYSA-N
XLogP4.69
TPSA106.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.81
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(3-chlorophenyl)-7-fluoro-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2007177
(1R)-7-chloro-2-(furan-2-ylmethyl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27308706
(1S)-1-(3-chlorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7528655
(1S)-7-fluoro-2-(furan-2-ylmethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1423205
(1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 26741889
(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40837577
(1R)-1-(4-chlorophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2030987
1-(4-chlorophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4223731
(1R)-7-chloro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1423939
methyl 4-[(1S)-7-chloro-2-(furan-2-ylmethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 2037770
7-bromo-1-(3-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3692045
2-[(4-fluorophenyl)methyl]-7-methyl-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809747

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(furan-2-ylmethyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-2-(furan-2-ylmethyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4918987) is 7-chloro-2-(furan-2-ylmethyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-2-(furan-2-ylmethyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-2-(furan-2-ylmethyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc([N+](=O)[O-])c2)N1Cc1ccco1.
What is the InChIKey of 7-chloro-2-(furan-2-ylmethyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is JBDNENXGOGSNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClN2O6/c23-13-6-7-17-16(10-13)20(26)18-19(12-3-1-4-14(9-12)25(28)29)24(22(27)21(18)31-17)11-15-5-2-8-30-15/h1-10,19H,11H2.
What are the key properties of 7-chloro-2-(furan-2-ylmethyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-2-(furan-2-ylmethyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 436.81 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(furan-2-ylmethyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4918987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).