2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H32N2O4 — CID 23472848

IUPAC2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4ccc(CC)cc4c3=O)C(=O)N2CCN(CC)CC)cc1
InChIInChI=1S/C28H32N2O4/c1-5-17-33-21-12-10-20(11-13-21)25-24-26(31)22-18-19(6-2)9-14-23(22)34-27(24)28(32)30(25)16-15-29(7-3)8-4/h5,9-14,18,25H,1,6-8,15-17H2,2-4H3
InChIKeyMBJUMHHVMQXMBB-UHFFFAOYSA-N
MW460.57 g/mol
LogP4.81
Rot. Bonds10

About 2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 23472848) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID23472848
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC Name2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4ccc(CC)cc4c3=O)C(=O)N2CCN(CC)CC)cc1
InChIInChI=1S/C28H32N2O4/c1-5-17-33-21-12-10-20(11-13-21)25-24-26(31)22-18-19(6-2)9-14-23(22)34-27(24)28(32)30(25)16-15-29(7-3)8-4/h5,9-14,18,25H,1,6-8,15-17H2,2-4H3
InChIKeyMBJUMHHVMQXMBB-UHFFFAOYSA-N
XLogP4.81
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472846
2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472837
2-[2-(diethylamino)ethyl]-7-ethyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472840
7-bromo-2-[2-(diethylamino)ethyl]-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705386
7-bromo-2-[2-(diethylamino)ethyl]-1-(3-ethoxy-4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705405
2-[2-(diethylamino)ethyl]-7-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705311
7-bromo-2-[2-(diethylamino)ethyl]-1-(4-hexoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705410
2-[4-[2-[2-(diethylamino)ethyl]-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 4705360
2-[2-(diethylamino)ethyl]-7-fluoro-1-(4-hexoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705518
(1R)-2-(2-methoxyethyl)-7-methyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40851029
7-bromo-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705371
7-bromo-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706181

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 23472848) is 2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1ccc(C2c3c(oc4ccc(CC)cc4c3=O)C(=O)N2CCN(CC)CC)cc1.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is MBJUMHHVMQXMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-5-17-33-21-12-10-20(11-13-21)25-24-26(31)22-18-19(6-2)9-14-23(22)34-27(24)28(32)30(25)16-15-29(7-3)8-4/h5,9-14,18,25H,1,6-8,15-17H2,2-4H3.
What are the key properties of 2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 460.57 g/mol, XLogP of 4.81, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 23472848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).