2-(4,5-dimethylpyrrol-3-ylidene)indole

C14H12N2 — CID 123661071

IUPAC2-(4,5-dimethylpyrrol-3-ylidene)indole
SMILESCC1=C(C)C(=C2C=c3ccccc3=N2)C=N1
InChIInChI=1S/C14H12N2/c1-9-10(2)15-8-12(9)14-7-11-5-3-4-6-13(11)16-14/h3-8H,1-2H3
InChIKeyATDCODBZTXUDSE-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.73
Rot. Bonds

About 2-(4,5-dimethylpyrrol-3-ylidene)indole

2-(4,5-dimethylpyrrol-3-ylidene)indole (PubChem CID 123661071) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(4,5-dimethylpyrrol-3-ylidene)indole.

Molecular Properties

Compound Name2-(4,5-dimethylpyrrol-3-ylidene)indole
PubChem CID123661071
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name2-(4,5-dimethylpyrrol-3-ylidene)indole
SMILESCC1=C(C)C(=C2C=c3ccccc3=N2)C=N1
InChIInChI=1S/C14H12N2/c1-9-10(2)15-8-12(9)14-7-11-5-3-4-6-13(11)16-14/h3-8H,1-2H3
InChIKeyATDCODBZTXUDSE-UHFFFAOYSA-N
XLogP1.73
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9H-Pyrido[4,3-b]indole
CID 15897929
1-Methyl-9H-pyrido[4,3-b]indole
CID 15897930
Indeno[1,2-b]pyrrole
CID 18925321
Pyrrolo[2,3-c]carbazole
CID 19960015
Pyrrolo-[3,2-f]indole
CID 21252023
1h Pyrido[4,3 b]indole hydrochloride
CID 21499446
1h Pyrido[4,3 b]indole
CID 21499447
Pyrrolo[3,2-b]carbazole
CID 21886979
Pyrrolo[2,3-a]carbazole
CID 21887182
Pyrrolo[3,4 b]carbazole
CID 21887215
Pyrrolo[3,4-c]carbazole
CID 21887285
Imidazocarbazole
CID 21887508

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylpyrrol-3-ylidene)indole?
The IUPAC name of 2-(4,5-dimethylpyrrol-3-ylidene)indole (CID 123661071) is 2-(4,5-dimethylpyrrol-3-ylidene)indole.
What is the SMILES notation for 2-(4,5-dimethylpyrrol-3-ylidene)indole?
The canonical SMILES for 2-(4,5-dimethylpyrrol-3-ylidene)indole is CC1=C(C)C(=C2C=c3ccccc3=N2)C=N1.
What is the InChIKey of 2-(4,5-dimethylpyrrol-3-ylidene)indole?
The InChIKey is ATDCODBZTXUDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-9-10(2)15-8-12(9)14-7-11-5-3-4-6-13(11)16-14/h3-8H,1-2H3.
What are the key properties of 2-(4,5-dimethylpyrrol-3-ylidene)indole?
2-(4,5-dimethylpyrrol-3-ylidene)indole has a molecular weight of 208.26 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylpyrrol-3-ylidene)indole is sourced from PubChem (CID 123661071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).