dimethyl(1H-pyrrol-2-ylmethylidene)azanium

C7H11N2+ — CID 12676266

IUPACdimethyl(1H-pyrrol-2-ylmethylidene)azanium
SMILESC[N+](C)=Cc1ccc[nH]1
InChIInChI=1S/C7H10N2/c1-9(2)6-7-4-3-5-8-7/h3-6H,1-2H3/p+1
InChIKeyOUVWRMOKHVEGJB-UHFFFAOYSA-O
MW123.18 g/mol
LogP0.71
Rot. Bonds1

About dimethyl(1H-pyrrol-2-ylmethylidene)azanium

dimethyl(1H-pyrrol-2-ylmethylidene)azanium (PubChem CID 12676266) has the molecular formula C7H11N2+ and a molecular weight of 123.18 g/mol. Its IUPAC name is dimethyl(1H-pyrrol-2-ylmethylidene)azanium.

Molecular Properties

Compound Namedimethyl(1H-pyrrol-2-ylmethylidene)azanium
PubChem CID12676266
Molecular FormulaC7H11N2+
Molecular Weight123.18 g/mol
Exact Mass123.09
IUPAC Namedimethyl(1H-pyrrol-2-ylmethylidene)azanium
SMILESC[N+](C)=Cc1ccc[nH]1
InChIInChI=1S/C7H10N2/c1-9(2)6-7-4-3-5-8-7/h3-6H,1-2H3/p+1
InChIKeyOUVWRMOKHVEGJB-UHFFFAOYSA-O
XLogP0.71
TPSA18.80 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl(1H-pyrrol-2-ylmethylidene)azanium?
The IUPAC name of dimethyl(1H-pyrrol-2-ylmethylidene)azanium (CID 12676266) is dimethyl(1H-pyrrol-2-ylmethylidene)azanium.
What is the SMILES notation for dimethyl(1H-pyrrol-2-ylmethylidene)azanium?
The canonical SMILES for dimethyl(1H-pyrrol-2-ylmethylidene)azanium is C[N+](C)=Cc1ccc[nH]1.
What is the InChIKey of dimethyl(1H-pyrrol-2-ylmethylidene)azanium?
The InChIKey is OUVWRMOKHVEGJB-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10N2/c1-9(2)6-7-4-3-5-8-7/h3-6H,1-2H3/p+1.
What are the key properties of dimethyl(1H-pyrrol-2-ylmethylidene)azanium?
dimethyl(1H-pyrrol-2-ylmethylidene)azanium has a molecular weight of 123.18 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(1H-pyrrol-2-ylmethylidene)azanium is sourced from PubChem (CID 12676266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).