3-azido-4-(5-methoxy-1H-indol-3-yl)-1-methylpyrrole-2,5-dione

C14H11N5O3 — CID 10661694

IUPAC3-azido-4-(5-methoxy-1H-indol-3-yl)-1-methylpyrrole-2,5-dione
SMILESCOc1ccc2[nH]cc(C3=C(N=[N+]=[N-])C(=O)N(C)C3=O)c2c1
InChIInChI=1S/C14H11N5O3/c1-19-13(20)11(12(14(19)21)17-18-15)9-6-16-10-4-3-7(22-2)5-8(9)10/h3-6,16H,1-2H3
InChIKeyCLGCWTRWANUYKB-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.20
Rot. Bonds3

About 3-azido-4-(5-methoxy-1H-indol-3-yl)-1-methylpyrrole-2,5-dione

3-azido-4-(5-methoxy-1H-indol-3-yl)-1-methylpyrrole-2,5-dione (PubChem CID 10661694) has the molecular formula C14H11N5O3 and a molecular weight of 297.27 g/mol. Its IUPAC name is 3-azido-4-(5-methoxy-1H-indol-3-yl)-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-azido-4-(5-methoxy-1H-indol-3-yl)-1-methylpyrrole-2,5-dione
PubChem CID10661694
Molecular FormulaC14H11N5O3
Molecular Weight297.27 g/mol
Exact Mass297.09
IUPAC Name3-azido-4-(5-methoxy-1H-indol-3-yl)-1-methylpyrrole-2,5-dione
SMILESCOc1ccc2[nH]cc(C3=C(N=[N+]=[N-])C(=O)N(C)C3=O)c2c1
InChIInChI=1S/C14H11N5O3/c1-19-13(20)11(12(14(19)21)17-18-15)9-6-16-10-4-3-7(22-2)5-8(9)10/h3-6,16H,1-2H3
InChIKeyCLGCWTRWANUYKB-UHFFFAOYSA-N
XLogP2.20
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-(5-methoxy-1H-indol-3-yl)-1-methyl-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
CID 23650713
3-(6-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 22308775
1-[(4-tert-butylphenyl)methyl]-3,4-bis(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 101149578
3-chloro-4-(5-methoxy-1H-indol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480665
3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole
CID 70291499
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906584
3-[(3,4-dimethoxyphenyl)methylideneamino]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 10573330
3-isocyanato-5-methoxy-1H-indole
CID 83915351
3,6-bis(5-methoxy-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione
CID 134818183
6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one
CID 135802407
2-(5-methoxy-1H-indol-3-yl)benzaldehyde
CID 45485466

Frequently Asked Questions

What is the IUPAC name of 3-azido-4-(5-methoxy-1H-indol-3-yl)-1-methylpyrrole-2,5-dione?
The IUPAC name of 3-azido-4-(5-methoxy-1H-indol-3-yl)-1-methylpyrrole-2,5-dione (CID 10661694) is 3-azido-4-(5-methoxy-1H-indol-3-yl)-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-azido-4-(5-methoxy-1H-indol-3-yl)-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3-azido-4-(5-methoxy-1H-indol-3-yl)-1-methylpyrrole-2,5-dione is COc1ccc2[nH]cc(C3=C(N=[N+]=[N-])C(=O)N(C)C3=O)c2c1.
What is the InChIKey of 3-azido-4-(5-methoxy-1H-indol-3-yl)-1-methylpyrrole-2,5-dione?
The InChIKey is CLGCWTRWANUYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O3/c1-19-13(20)11(12(14(19)21)17-18-15)9-6-16-10-4-3-7(22-2)5-8(9)10/h3-6,16H,1-2H3.
What are the key properties of 3-azido-4-(5-methoxy-1H-indol-3-yl)-1-methylpyrrole-2,5-dione?
3-azido-4-(5-methoxy-1H-indol-3-yl)-1-methylpyrrole-2,5-dione has a molecular weight of 297.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-4-(5-methoxy-1H-indol-3-yl)-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 10661694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).