2-[[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1,3-dimethylindole

C20H19N3O — CID 136655899

IUPAC2-[[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1,3-dimethylindole
SMILESCOC1=CC(c2ccc[nH]2)=NC1=Cc1c(C)c2ccccc2n1C
InChIInChI=1S/C20H19N3O/c1-13-14-7-4-5-9-18(14)23(2)19(13)11-17-20(24-3)12-16(22-17)15-8-6-10-21-15/h4-12,21H,1-3H3
InChIKeyWNWHAAULPQLOHF-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.19
Rot. Bonds3

About 2-[[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1,3-dimethylindole

2-[[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1,3-dimethylindole (PubChem CID 136655899) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1,3-dimethylindole.

Molecular Properties

Compound Name2-[[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1,3-dimethylindole
PubChem CID136655899
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-[[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1,3-dimethylindole
SMILESCOC1=CC(c2ccc[nH]2)=NC1=Cc1c(C)c2ccccc2n1C
InChIInChI=1S/C20H19N3O/c1-13-14-7-4-5-9-18(14)23(2)19(13)11-17-20(24-3)12-16(22-17)15-8-6-10-21-15/h4-12,21H,1-3H3
InChIKeyWNWHAAULPQLOHF-UHFFFAOYSA-N
XLogP4.19
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 135540842
2-[(5-hexyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 136504340
zinc bis(3-methoxy-2-[(5-methyl-4-pentylpyrrol-1-id-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole)
CID 135471925
1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane
CID 144783393
(2Z)-2-[(5-decyl-1H-pyrrol-2-yl)methylidene]-3-ethoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 135704039
2-[(5-benzyl-1H-pyrrol-2-yl)methylidene]-3-phenylmethoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 136834293
1-(1,3-dimethylindol-2-yl)-N-prop-1-en-2-ylmethanimine;ethane
CID 145463492
3-(1,3-dimethylindol-2-yl)propa-1,2-dien-1-one
CID 134893149
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
CID 12742686
ethane;1,2,3-trimethylindole
CID 91590745
[(E)-(1,3-dimethylindol-2-yl)methylideneamino]urea
CID 107236483
2-(methoxymethyl)-1,3-dimethylindole
CID 101050705

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1,3-dimethylindole?
The IUPAC name of 2-[[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1,3-dimethylindole (CID 136655899) is 2-[[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1,3-dimethylindole.
What is the SMILES notation for 2-[[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1,3-dimethylindole?
The canonical SMILES for 2-[[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1,3-dimethylindole is COC1=CC(c2ccc[nH]2)=NC1=Cc1c(C)c2ccccc2n1C.
What is the InChIKey of 2-[[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1,3-dimethylindole?
The InChIKey is WNWHAAULPQLOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-13-14-7-4-5-9-18(14)23(2)19(13)11-17-20(24-3)12-16(22-17)15-8-6-10-21-15/h4-12,21H,1-3H3.
What are the key properties of 2-[[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1,3-dimethylindole?
2-[[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1,3-dimethylindole has a molecular weight of 317.39 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1,3-dimethylindole is sourced from PubChem (CID 136655899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).