1-methyl-2-[2-methyl-3-(1-methyl-3H-pyrrol-1-ium-2-yl)prop-2-enylidene]-3H-pyrrole

C14H19N2+ — CID 59893251

IUPAC1-methyl-2-[2-methyl-3-(1-methyl-3H-pyrrol-1-ium-2-yl)prop-2-enylidene]-3H-pyrrole
SMILESCC(=CC1=[N+](C)C=CC1)C=C1CC=CN1C
InChIInChI=1S/C14H19N2/c1-12(10-13-6-4-8-15(13)2)11-14-7-5-9-16(14)3/h4-5,8-11H,6-7H2,1-3H3/q+1
InChIKeyFNUMESSYLKJISP-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.67
Rot. Bonds2

About 1-methyl-2-[2-methyl-3-(1-methyl-3H-pyrrol-1-ium-2-yl)prop-2-enylidene]-3H-pyrrole

1-methyl-2-[2-methyl-3-(1-methyl-3H-pyrrol-1-ium-2-yl)prop-2-enylidene]-3H-pyrrole (PubChem CID 59893251) has the molecular formula C14H19N2+ and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-methyl-2-[2-methyl-3-(1-methyl-3H-pyrrol-1-ium-2-yl)prop-2-enylidene]-3H-pyrrole.

Molecular Properties

Compound Name1-methyl-2-[2-methyl-3-(1-methyl-3H-pyrrol-1-ium-2-yl)prop-2-enylidene]-3H-pyrrole
PubChem CID59893251
Molecular FormulaC14H19N2+
Molecular Weight215.32 g/mol
Exact Mass215.15
IUPAC Name1-methyl-2-[2-methyl-3-(1-methyl-3H-pyrrol-1-ium-2-yl)prop-2-enylidene]-3H-pyrrole
SMILESCC(=CC1=[N+](C)C=CC1)C=C1CC=CN1C
InChIInChI=1S/C14H19N2/c1-12(10-13-6-4-8-15(13)2)11-14-7-5-9-16(14)3/h4-5,8-11H,6-7H2,1-3H3/q+1
InChIKeyFNUMESSYLKJISP-UHFFFAOYSA-N
XLogP2.67
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

8-fluoro-7H-pyrrolo[2,1-c][1,4]benzodiazepine
CID 18439640
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CID 129782327
1-Ethyl-3h-pyrrolo[2,3-h]quinoline
CID 129782498
1-Methylpyrroloquinoline
CID 129800346
N-ethylpyrroloindole
CID 129873132
1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine
CID 153383099
Oopcllihquxqnn-uhfffaoysa-
CID 606713
7H-pyrrolo[2,1-c][1,4]benzodiazepine
CID 22063048
1,3,3-Trimethyl-2-[3-(1,3,3-trimethylpyrrol-1-ium-2-yl)prop-2-enylidene]pyrrole
CID 54356798
12-Methyl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1(15),2,4,6,8,10-hexaene
CID 57306056
1-methyl-3-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-2H-pyrrole
CID 59874184
[2-Ethylidene-5-[2-(1,3,3-trimethylpyrrol-2-ylidene)ethylidene]cyclopentylidene]-dimethylazanium
CID 59890754

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-methyl-3-(1-methyl-3H-pyrrol-1-ium-2-yl)prop-2-enylidene]-3H-pyrrole?
The IUPAC name of 1-methyl-2-[2-methyl-3-(1-methyl-3H-pyrrol-1-ium-2-yl)prop-2-enylidene]-3H-pyrrole (CID 59893251) is 1-methyl-2-[2-methyl-3-(1-methyl-3H-pyrrol-1-ium-2-yl)prop-2-enylidene]-3H-pyrrole.
What is the SMILES notation for 1-methyl-2-[2-methyl-3-(1-methyl-3H-pyrrol-1-ium-2-yl)prop-2-enylidene]-3H-pyrrole?
The canonical SMILES for 1-methyl-2-[2-methyl-3-(1-methyl-3H-pyrrol-1-ium-2-yl)prop-2-enylidene]-3H-pyrrole is CC(=CC1=[N+](C)C=CC1)C=C1CC=CN1C.
What is the InChIKey of 1-methyl-2-[2-methyl-3-(1-methyl-3H-pyrrol-1-ium-2-yl)prop-2-enylidene]-3H-pyrrole?
The InChIKey is FNUMESSYLKJISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N2/c1-12(10-13-6-4-8-15(13)2)11-14-7-5-9-16(14)3/h4-5,8-11H,6-7H2,1-3H3/q+1.
What are the key properties of 1-methyl-2-[2-methyl-3-(1-methyl-3H-pyrrol-1-ium-2-yl)prop-2-enylidene]-3H-pyrrole?
1-methyl-2-[2-methyl-3-(1-methyl-3H-pyrrol-1-ium-2-yl)prop-2-enylidene]-3H-pyrrole has a molecular weight of 215.32 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-methyl-3-(1-methyl-3H-pyrrol-1-ium-2-yl)prop-2-enylidene]-3H-pyrrole is sourced from PubChem (CID 59893251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).