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

C11H17ClN2 — CID 134892281

IUPAC[(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium chloride
SMILESCN(C)/C=C1/C=CC=C1C=[N+](C)C.[Cl-]
InChIInChI=1S/C11H17N2.ClH/c1-12(2)8-10-6-5-7-11(10)9-13(3)4;/h5-9H,1-4H3;1H/q+1;/p-1
InChIKeyOTPDOJTUNRNFHI-UHFFFAOYSA-M
MW212.72 g/mol
LogP-1.73
Rot. Bonds2

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

[(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium chloride (PubChem CID 134892281) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is [(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium chloride.

Molecular Properties

Compound Name[(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium chloride
PubChem CID134892281
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name[(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium chloride
SMILESCN(C)/C=C1/C=CC=C1C=[N+](C)C.[Cl-]
InChIInChI=1S/C11H17N2.ClH/c1-12(2)8-10-6-5-7-11(10)9-13(3)4;/h5-9H,1-4H3;1H/q+1;/p-1
InChIKeyOTPDOJTUNRNFHI-UHFFFAOYSA-M
XLogP-1.73
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 5-1.73
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 chloride?
The IUPAC name of [(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium chloride (CID 134892281) is [(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium chloride.
What is the SMILES notation for [(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium chloride?
The canonical SMILES for [(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium chloride is CN(C)/C=C1/C=CC=C1C=[N+](C)C.[Cl-].
What is the InChIKey of [(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium chloride?
The InChIKey is OTPDOJTUNRNFHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H17N2.ClH/c1-12(2)8-10-6-5-7-11(10)9-13(3)4;/h5-9H,1-4H3;1H/q+1;/p-1.
What are the key properties of [(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium chloride?
[(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium chloride has a molecular weight of 212.72 g/mol, XLogP of -1.73, 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 chloride is sourced from PubChem (CID 134892281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).