1-(1H-indol-2-yl)-2H-pyrrol-3-imine

C12H11N3 — CID 151572241

IUPAC1-(1H-indol-2-yl)-2H-pyrrol-3-imine
SMILES[H]/N=C1\C=CN(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C12H11N3/c13-10-5-6-15(8-10)12-7-9-3-1-2-4-11(9)14-12/h1-7,13-14H,8H2/b13-10+
InChIKeyQERSUDKUHHTVNS-JLHYYAGUSA-N
MW197.24 g/mol
LogP2.52
Rot. Bonds1

About 1-(1H-indol-2-yl)-2H-pyrrol-3-imine

1-(1H-indol-2-yl)-2H-pyrrol-3-imine (PubChem CID 151572241) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-(1H-indol-2-yl)-2H-pyrrol-3-imine.

Molecular Properties

Compound Name1-(1H-indol-2-yl)-2H-pyrrol-3-imine
PubChem CID151572241
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name1-(1H-indol-2-yl)-2H-pyrrol-3-imine
SMILES[H]/N=C1\C=CN(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C12H11N3/c13-10-5-6-15(8-10)12-7-9-3-1-2-4-11(9)14-12/h1-7,13-14H,8H2/b13-10+
InChIKeyQERSUDKUHHTVNS-JLHYYAGUSA-N
XLogP2.52
TPSA42.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(1H-indol-2-yl)pyrrolidine-2,5-dione
CID 163731271
1-(1H-indol-2-yl)-3,4-dihydro-2H-quinoline
CID 70171146
1-(1H-indol-2-yl)-3-methylideneindol-2-one
CID 70274778
2-bromo-1H-indole
CID 11805631
2-(1H-indol-2-yl)ethanamine;hydroiodide
CID 175201769
1-benzoyl-3-(1H-indol-2-yl)-1,3-diazinane-2,4,6-trione
CID 90259373
3-(18F)fluoro-1H-quinolin-2-one
CID 158117840
3-amino-1H-quinoline-2-thione
CID 3035978
bis(1H-indol-2-yl)phosphane
CID 151093221
2-methyl-1H-indole;hydrofluoride
CID 163912177
benzene;2-methyl-1H-indole
CID 158804583
benzene;1H-quinoline-2-thione
CID 158676150

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-2-yl)-2H-pyrrol-3-imine?
The IUPAC name of 1-(1H-indol-2-yl)-2H-pyrrol-3-imine (CID 151572241) is 1-(1H-indol-2-yl)-2H-pyrrol-3-imine.
What is the SMILES notation for 1-(1H-indol-2-yl)-2H-pyrrol-3-imine?
The canonical SMILES for 1-(1H-indol-2-yl)-2H-pyrrol-3-imine is [H]/N=C1\C=CN(c2cc3ccccc3[nH]2)C1.
What is the InChIKey of 1-(1H-indol-2-yl)-2H-pyrrol-3-imine?
The InChIKey is QERSUDKUHHTVNS-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H11N3/c13-10-5-6-15(8-10)12-7-9-3-1-2-4-11(9)14-12/h1-7,13-14H,8H2/b13-10+.
What are the key properties of 1-(1H-indol-2-yl)-2H-pyrrol-3-imine?
1-(1H-indol-2-yl)-2H-pyrrol-3-imine has a molecular weight of 197.24 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-2-yl)-2H-pyrrol-3-imine is sourced from PubChem (CID 151572241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).