[(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium

C11H17N2+ — CID 134892282

IUPAC[(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium
SMILESCN(C)/C=C1/C=CC=C1C=[N+](C)C
InChIInChI=1S/C11H17N2/c1-12(2)8-10-6-5-7-11(10)9-13(3)4/h5-9H,1-4H3/q+1
InChIKeyRRJZFMWBVJGRNB-UHFFFAOYSA-N
MW177.27 g/mol
LogP1.27
Rot. Bonds2

About [(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium

[(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium (PubChem CID 134892282) has the molecular formula C11H17N2+ and a molecular weight of 177.27 g/mol. Its IUPAC name is [(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium.

Molecular Properties

Compound Name[(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium
PubChem CID134892282
Molecular FormulaC11H17N2+
Molecular Weight177.27 g/mol
Exact Mass177.14
IUPAC Name[(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium
SMILESCN(C)/C=C1/C=CC=C1C=[N+](C)C
InChIInChI=1S/C11H17N2/c1-12(2)8-10-6-5-7-11(10)9-13(3)4/h5-9H,1-4H3/q+1
InChIKeyRRJZFMWBVJGRNB-UHFFFAOYSA-N
XLogP1.27
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium?
The IUPAC name of [(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium (CID 134892282) is [(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium.
What is the SMILES notation for [(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium?
The canonical SMILES for [(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium is CN(C)/C=C1/C=CC=C1C=[N+](C)C.
What is the InChIKey of [(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium?
The InChIKey is RRJZFMWBVJGRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N2/c1-12(2)8-10-6-5-7-11(10)9-13(3)4/h5-9H,1-4H3/q+1.
What are the key properties of [(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium?
[(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium has a molecular weight of 177.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium is sourced from PubChem (CID 134892282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).