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

C11H15N2+ — CID 59893301

IUPAC1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole
SMILESCN1C=CCC1=CC1=[N+](C)C=CC1
InChIInChI=1S/C11H15N2/c1-12-7-3-5-10(12)9-11-6-4-8-13(11)2/h3-4,7-9H,5-6H2,1-2H3/q+1
InChIKeyHOEKRVYOVVRSLH-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.72
Rot. Bonds1

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

1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole (PubChem CID 59893301) has the molecular formula C11H15N2+ and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole.

Molecular Properties

Compound Name1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole
PubChem CID59893301
Molecular FormulaC11H15N2+
Molecular Weight175.25 g/mol
Exact Mass175.12
IUPAC Name1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole
SMILESCN1C=CCC1=CC1=[N+](C)C=CC1
InChIInChI=1S/C11H15N2/c1-12-7-3-5-10(12)9-11-6-4-8-13(11)2/h3-4,7-9H,5-6H2,1-2H3/q+1
InChIKeyHOEKRVYOVVRSLH-UHFFFAOYSA-N
XLogP1.72
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.72
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

N-ethylpyrroloindole
CID 129873132
5,6-dihydro-1H-indolizin-4-ium
CID 18684139
5-methyl-5,6-dihydro-1H-indolizin-4-ium
CID 18684141
1-methyl-2-[(E)-4-(1-methyl-2,3-dihydropyrrol-2-yl)but-1-enyl]-3H-pyrrol-1-ium
CID 20665825
4,5-dimethyl-2H-pyrrolo[3,2-b]pyrrole
CID 53776424
1,3,3-Trimethyl-2-[3-(1,3,3-trimethylpyrrol-1-ium-2-yl)prop-2-enylidene]pyrrole
CID 54356798
(5S)-5-methyl-1,5-dihydropyrrolizin-4-ium
CID 58995829
(5S)-5-methyl-5,6-dihydro-1H-indolizin-4-ium
CID 58995854
2-[(Z)-but-1-enyl]-3H-pyrrole
CID 59879717
1-methyl-2-[2-methyl-3-(1-methyl-3H-pyrrol-1-ium-2-yl)prop-2-enylidene]-3H-pyrrole
CID 59893251
1,3,3-Trimethyl-2-[5-(1,3,3-trimethylpyrrol-1-ium-2-yl)penta-2,4-dienylidene]pyrrole
CID 59908601
(2Z,6Z)-4-N,5-N-bis(ethenyl)octa-2,6-diene-4,5-diimine
CID 117674642

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole?
The IUPAC name of 1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole (CID 59893301) is 1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole.
What is the SMILES notation for 1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole?
The canonical SMILES for 1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole is CN1C=CCC1=CC1=[N+](C)C=CC1.
What is the InChIKey of 1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole?
The InChIKey is HOEKRVYOVVRSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2/c1-12-7-3-5-10(12)9-11-6-4-8-13(11)2/h3-4,7-9H,5-6H2,1-2H3/q+1.
What are the key properties of 1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole?
1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole has a molecular weight of 175.25 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole is sourced from PubChem (CID 59893301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).