(1S)-2-[3-(diethylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H25N3O5 — CID 1424279

IUPAC(1S)-2-[3-(diethylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C24H25N3O5/c1-3-25(4-2)13-8-14-26-21(16-9-7-10-17(15-16)27(30)31)20-22(28)18-11-5-6-12-19(18)32-23(20)24(26)29/h5-7,9-12,15,21H,3-4,8,13-14H2,1-2H3/t21-/m0/s1
InChIKeyZELPWSOJRWOKDC-NRFANRHFSA-N
MW435.48 g/mol
LogP3.98
Rot. Bonds8

About (1S)-2-[3-(diethylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-2-[3-(diethylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 1424279) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is (1S)-2-[3-(diethylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-2-[3-(diethylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID1424279
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name(1S)-2-[3-(diethylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C24H25N3O5/c1-3-25(4-2)13-8-14-26-21(16-9-7-10-17(15-16)27(30)31)20-22(28)18-11-5-6-12-19(18)32-23(20)24(26)29/h5-7,9-12,15,21H,3-4,8,13-14H2,1-2H3/t21-/m0/s1
InChIKeyZELPWSOJRWOKDC-NRFANRHFSA-N
XLogP3.98
TPSA96.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.98
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

2-[3-(dibutylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702798
(1R)-1-(3,4-dichlorophenyl)-2-[3-(diethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2014324
(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40837577
1-(4-chlorophenyl)-2-[3-(diethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3992814
(1R)-2-[3-(diethylamino)propyl]-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2027301
2-[3-(diethylamino)propyl]-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3397842
2-[3-(diethylamino)propyl]-1-(5-methylfuran-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3977855
7-fluoro-2-(3-hydroxypropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3776570
(1S)-2-(3-hydroxypropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2219556
(1S)-2-[2-(diethylamino)ethyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2030176
7-chloro-1-(3-chlorophenyl)-2-[3-(diethylamino)propyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134467
(1R)-1-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2008426

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[3-(diethylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-2-[3-(diethylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 1424279) is (1S)-2-[3-(diethylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-2-[3-(diethylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-2-[3-(diethylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (1S)-2-[3-(diethylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ZELPWSOJRWOKDC-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-3-25(4-2)13-8-14-26-21(16-9-7-10-17(15-16)27(30)31)20-22(28)18-11-5-6-12-19(18)32-23(20)24(26)29/h5-7,9-12,15,21H,3-4,8,13-14H2,1-2H3/t21-/m0/s1.
What are the key properties of (1S)-2-[3-(diethylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-2-[3-(diethylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 435.48 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[3-(diethylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 1424279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).