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

C11H17N2+ — CID 175687084

IUPAC[5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium
SMILESCN(C)C=C1C=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 [5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium

[5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium (PubChem CID 175687084) has the molecular formula C11H17N2+ and a molecular weight of 177.27 g/mol. Its IUPAC name is [5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium.

Molecular Properties

Compound Name[5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium
PubChem CID175687084
Molecular FormulaC11H17N2+
Molecular Weight177.27 g/mol
Exact Mass177.14
IUPAC Name[5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium
SMILESCN(C)C=C1C=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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Related Compounds

[(2E,4E)-5-(dimethylamino)-3-methyl-2,4-pentadienylidene]bis(methyl)azanium
CID 2046519
[(5E)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium perchlorate
CID 12454510
[(E)-3-[(5Z)-5-[chloro(dimethylamino)methylidene]cyclopenta-1,3-dien-1-yl]prop-2-enylidene]-dimethylazanium chloride
CID 134869548
[(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium chloride
CID 134892281
CID 164673418
CID 164673418
[5-(Dimethylamino)-3-[2-(dimethylamino)ethenyl]penta-2,4-dienylidene]-dimethylazanium
CID 498425
[(4E)-5-(dimethylamino)-3-[(E)-2-(dimethylamino)vinyl]penta-2,4-dienylidene]-dimethyl-ammonium
CID 5935493
[(2Z,4Z)-3,4-bis[(E)-2-(dimethylamino)ethenyl]-6-dimethylazaniumylidenehexa-2,4-dienylidene]-dimethylazanium
CID 57679311
N,3-dimethyl-2-(1-methyl-3H-pyrrol-3-id-4-yl)but-2-en-1-imine;iridium
CID 57687911
4-prop-1-enyl-3H-pyrrole
CID 58091270
1-methyl-3-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-2H-pyrrole
CID 59874184
Methyl-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
CID 59962921

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium?
The IUPAC name of [5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium (CID 175687084) is [5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium.
What is the SMILES notation for [5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium?
The canonical SMILES for [5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium is CN(C)C=C1C=CC=C1C=[N+](C)C.
What is the InChIKey of [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 [5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium?
[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 [5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium is sourced from PubChem (CID 175687084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).