(3R,4R)-3-(1-ethyl-6,6-dimethylcyclopenta[b]pyrrol-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione

C23H23N3O2 — CID 163810037

IUPAC(3R,4R)-3-(1-ethyl-6,6-dimethylcyclopenta[b]pyrrol-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESCCn1cc([C@@H]2C(=O)NC(=O)[C@H]2c2c[nH]c3ccccc23)c2c1C(C)(C)C=C2
InChIInChI=1S/C23H23N3O2/c1-4-26-12-16(14-9-10-23(2,3)20(14)26)19-18(21(27)25-22(19)28)15-11-24-17-8-6-5-7-13(15)17/h5-12,18-19,24H,4H2,1-3H3,(H,25,27,28)/t18-,19-/m0/s1
InChIKeyNMKZRBCZMNEGON-OALUTQOASA-N
MW373.46 g/mol
LogP3.82
Rot. Bonds3

About (3R,4R)-3-(1-ethyl-6,6-dimethylcyclopenta[b]pyrrol-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione

(3R,4R)-3-(1-ethyl-6,6-dimethylcyclopenta[b]pyrrol-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione (PubChem CID 163810037) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (3R,4R)-3-(1-ethyl-6,6-dimethylcyclopenta[b]pyrrol-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4R)-3-(1-ethyl-6,6-dimethylcyclopenta[b]pyrrol-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
PubChem CID163810037
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(3R,4R)-3-(1-ethyl-6,6-dimethylcyclopenta[b]pyrrol-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESCCn1cc([C@@H]2C(=O)NC(=O)[C@H]2c2c[nH]c3ccccc23)c2c1C(C)(C)C=C2
InChIInChI=1S/C23H23N3O2/c1-4-26-12-16(14-9-10-23(2,3)20(14)26)19-18(21(27)25-22(19)28)15-11-24-17-8-6-5-7-13(15)17/h5-12,18-19,24H,4H2,1-3H3,(H,25,27,28)/t18-,19-/m0/s1
InChIKeyNMKZRBCZMNEGON-OALUTQOASA-N
XLogP3.82
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-3-[(9S)-9-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
CID 57405790
4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-(1H-indol-3-yl)-5-sulfanylidenepyrrolidin-2-one
CID 87450999
(5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 125484828
(5R)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 125484827
(2S)-2-(1H-indol-3-yl)-3,4-dimethyl-1-prop-2-enyl-2H-pyrrol-5-one
CID 40932108
3-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;(3R,4R)-3-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
CID 162241566
3,13,18-triazahexacyclo[14.6.1.02,10.04,9.011,15.019,23]tricosa-1(23),2(10),4,6,8,16,19,21-octaene-12,14-dione
CID 75051806
4-(1H-indol-3-yl)azetidin-2-one
CID 55255346
2-(1H-indol-3-yl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 899505
3-ethyl-4-(1H-indol-3-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 83672707
(3S,4R)-3-(4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
CID 70868103
2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one
CID 4679955

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(1-ethyl-6,6-dimethylcyclopenta[b]pyrrol-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3R,4R)-3-(1-ethyl-6,6-dimethylcyclopenta[b]pyrrol-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione (CID 163810037) is (3R,4R)-3-(1-ethyl-6,6-dimethylcyclopenta[b]pyrrol-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4R)-3-(1-ethyl-6,6-dimethylcyclopenta[b]pyrrol-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R,4R)-3-(1-ethyl-6,6-dimethylcyclopenta[b]pyrrol-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione is CCn1cc([C@@H]2C(=O)NC(=O)[C@H]2c2c[nH]c3ccccc23)c2c1C(C)(C)C=C2.
What is the InChIKey of (3R,4R)-3-(1-ethyl-6,6-dimethylcyclopenta[b]pyrrol-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione?
The InChIKey is NMKZRBCZMNEGON-OALUTQOASA-N. The full InChI is InChI=1S/C23H23N3O2/c1-4-26-12-16(14-9-10-23(2,3)20(14)26)19-18(21(27)25-22(19)28)15-11-24-17-8-6-5-7-13(15)17/h5-12,18-19,24H,4H2,1-3H3,(H,25,27,28)/t18-,19-/m0/s1.
What are the key properties of (3R,4R)-3-(1-ethyl-6,6-dimethylcyclopenta[b]pyrrol-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione?
(3R,4R)-3-(1-ethyl-6,6-dimethylcyclopenta[b]pyrrol-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione has a molecular weight of 373.46 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(1-ethyl-6,6-dimethylcyclopenta[b]pyrrol-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 163810037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).