7-chloro-6-methyl-1-(3-nitrophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C21H17ClN2O5 — CID 19134582

IUPAC7-chloro-6-methyl-1-(3-nitrophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H17ClN2O5/c1-3-7-23-18(12-5-4-6-13(9-12)24(27)28)17-19(25)14-10-15(22)11(2)8-16(14)29-20(17)21(23)26/h4-6,8-10,18H,3,7H2,1-2H3
InChIKeyOCXJZULMTLYBFJ-UHFFFAOYSA-N
MW412.83 g/mol
LogP4.62
Rot. Bonds4

About 7-chloro-6-methyl-1-(3-nitrophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-6-methyl-1-(3-nitrophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19134582) has the molecular formula C21H17ClN2O5 and a molecular weight of 412.83 g/mol. Its IUPAC name is 7-chloro-6-methyl-1-(3-nitrophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-6-methyl-1-(3-nitrophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19134582
Molecular FormulaC21H17ClN2O5
Molecular Weight412.83 g/mol
Exact Mass412.08
IUPAC Name7-chloro-6-methyl-1-(3-nitrophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H17ClN2O5/c1-3-7-23-18(12-5-4-6-13(9-12)24(27)28)17-19(25)14-10-15(22)11(2)8-16(14)29-20(17)21(23)26/h4-6,8-10,18H,3,7H2,1-2H3
InChIKeyOCXJZULMTLYBFJ-UHFFFAOYSA-N
XLogP4.62
TPSA93.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.83
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-butyl-7-chloro-6-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882297
7-chloro-1-(3,4-dimethoxyphenyl)-6-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882259
7-chloro-6-methyl-1-(4-propoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882265
7-chloro-1-(3-chlorophenyl)-2-[3-(diethylamino)propyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134467
7-chloro-6-methyl-2-propyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134579
(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40837577
methyl 4-(7-chloro-6-methyl-3,9-dioxo-2-propyl-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate
CID 19134584
2-[3-(dibutylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702798
1-(4-butoxy-3-ethoxyphenyl)-7-chloro-6-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882288
(1S)-7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316859
(1S)-2-[3-(diethylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1424279
(1R)-7-chloro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1423939

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methyl-1-(3-nitrophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-6-methyl-1-(3-nitrophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19134582) is 7-chloro-6-methyl-1-(3-nitrophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-6-methyl-1-(3-nitrophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-6-methyl-1-(3-nitrophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 7-chloro-6-methyl-1-(3-nitrophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is OCXJZULMTLYBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O5/c1-3-7-23-18(12-5-4-6-13(9-12)24(27)28)17-19(25)14-10-15(22)11(2)8-16(14)29-20(17)21(23)26/h4-6,8-10,18H,3,7H2,1-2H3.
What are the key properties of 7-chloro-6-methyl-1-(3-nitrophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-6-methyl-1-(3-nitrophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 412.83 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methyl-1-(3-nitrophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19134582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).