(1R)-1-(4-bromophenyl)-2-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C19H14BrNO3 — CID 40871956

IUPAC(1R)-1-(4-bromophenyl)-2-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C19H14BrNO3/c1-2-21-16(11-7-9-12(20)10-8-11)15-17(22)13-5-3-4-6-14(13)24-18(15)19(21)23/h3-10,16H,2H2,1H3/t16-/m1/s1
InChIKeyCOOOMROYZUPESP-MRXNPFEDSA-N
MW384.23 g/mol
LogP4.12
Rot. Bonds2

About (1R)-1-(4-bromophenyl)-2-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-1-(4-bromophenyl)-2-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 40871956) has the molecular formula C19H14BrNO3 and a molecular weight of 384.23 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-2-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-2-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID40871956
Molecular FormulaC19H14BrNO3
Molecular Weight384.23 g/mol
Exact Mass383.02
IUPAC Name(1R)-1-(4-bromophenyl)-2-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C19H14BrNO3/c1-2-21-16(11-7-9-12(20)10-8-11)15-17(22)13-5-3-4-6-14(13)24-18(15)19(21)23/h3-10,16H,2H2,1H3/t16-/m1/s1
InChIKeyCOOOMROYZUPESP-MRXNPFEDSA-N
XLogP4.12
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-bromophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27315461
2-ethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3419469
2-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5136139
(1R)-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2008929
(1R)-1-(4-bromophenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316263
(1R)-1-(4-bromophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27314496
(1S)-2-ethyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40872018
(1S)-1-(4-ethylphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27315501
2-[(1S)-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethylazanium
CID 2014152
2-pentyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113827
2-(4-bromophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18851964
2-(4-bromophenyl)-1-(4-tert-butylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852186

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-2-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-1-(4-bromophenyl)-2-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 40871956) is (1R)-1-(4-bromophenyl)-2-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-2-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-1-(4-bromophenyl)-2-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Br)cc1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-2-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is COOOMROYZUPESP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H14BrNO3/c1-2-21-16(11-7-9-12(20)10-8-11)15-17(22)13-5-3-4-6-14(13)24-18(15)19(21)23/h3-10,16H,2H2,1H3/t16-/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-2-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-1-(4-bromophenyl)-2-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 384.23 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-2-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 40871956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).