cyclopenta-1,3-dien-1-yl-[(cyclopenta-1,3-dien-1-ylamino)methylidene]azanium

C11H13N2+ — CID 164793032

IUPACcyclopenta-1,3-dien-1-yl-[(cyclopenta-1,3-dien-1-ylamino)methylidene]azanium
SMILESC1=CCC(N/C=[NH+]/C2=CC=CC2)=C1
InChIInChI=1S/C11H12N2/c1-2-6-10(5-1)12-9-13-11-7-3-4-8-11/h1-5,7,9H,6,8H2,(H,12,13)/p+1
InChIKeyOIKQJHNFLJQKGE-UHFFFAOYSA-O
MW173.24 g/mol
LogP0.37
Rot. Bonds3

About cyclopenta-1,3-dien-1-yl-[(cyclopenta-1,3-dien-1-ylamino)methylidene]azanium

cyclopenta-1,3-dien-1-yl-[(cyclopenta-1,3-dien-1-ylamino)methylidene]azanium (PubChem CID 164793032) has the molecular formula C11H13N2+ and a molecular weight of 173.24 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yl-[(cyclopenta-1,3-dien-1-ylamino)methylidene]azanium.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yl-[(cyclopenta-1,3-dien-1-ylamino)methylidene]azanium
PubChem CID164793032
Molecular FormulaC11H13N2+
Molecular Weight173.24 g/mol
Exact Mass173.11
IUPAC Namecyclopenta-1,3-dien-1-yl-[(cyclopenta-1,3-dien-1-ylamino)methylidene]azanium
SMILESC1=CCC(N/C=[NH+]/C2=CC=CC2)=C1
InChIInChI=1S/C11H12N2/c1-2-6-10(5-1)12-9-13-11-7-3-4-8-11/h1-5,7,9H,6,8H2,(H,12,13)/p+1
InChIKeyOIKQJHNFLJQKGE-UHFFFAOYSA-O
XLogP0.37
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide
CID 123441819
10-methylidene-4,5-dihydro-1H-1,3-diazecine
CID 123465078
N'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide
CID 123963482
N'-buta-1,3-dien-2-yl-N-[(3Z)-hexa-1,3-dien-2-yl]methanimidamide
CID 135208586
N-[(3Z)-hexa-1,3-dien-2-yl]-N'-methylmethanimidamide
CID 135243160
N'-butan-2-yl-N-[(3E)-hexa-3,5-dien-3-yl]methanimidamide
CID 135243193
N'-ethyl-N-[(3Z)-hexa-1,3-dien-2-yl]methanimidamide
CID 138528224
4,5-bis(prop-2-enyl)-1H-imidazol-1-ium bromide
CID 140518297
4,5-bis(prop-2-enyl)-1H-imidazol-1-ium chloride
CID 140633020
(4E,5E)-5-prop-2-enylidene-4-propylidene-1H-imidazole
CID 146656789
N-[(3E)-hexa-3,5-dien-3-yl]-N'-methylmethanimidamide
CID 148226109
[Amino-(cyclopenta-1,3-dien-1-ylamino)methylidene]-cyclopenta-1,3-dien-1-ylazanium
CID 154623196

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-yl-[(cyclopenta-1,3-dien-1-ylamino)methylidene]azanium?
The IUPAC name of cyclopenta-1,3-dien-1-yl-[(cyclopenta-1,3-dien-1-ylamino)methylidene]azanium (CID 164793032) is cyclopenta-1,3-dien-1-yl-[(cyclopenta-1,3-dien-1-ylamino)methylidene]azanium.
What is the SMILES notation for cyclopenta-1,3-dien-1-yl-[(cyclopenta-1,3-dien-1-ylamino)methylidene]azanium?
The canonical SMILES for cyclopenta-1,3-dien-1-yl-[(cyclopenta-1,3-dien-1-ylamino)methylidene]azanium is C1=CCC(N/C=[NH+]/C2=CC=CC2)=C1.
What is the InChIKey of cyclopenta-1,3-dien-1-yl-[(cyclopenta-1,3-dien-1-ylamino)methylidene]azanium?
The InChIKey is OIKQJHNFLJQKGE-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H12N2/c1-2-6-10(5-1)12-9-13-11-7-3-4-8-11/h1-5,7,9H,6,8H2,(H,12,13)/p+1.
What are the key properties of cyclopenta-1,3-dien-1-yl-[(cyclopenta-1,3-dien-1-ylamino)methylidene]azanium?
cyclopenta-1,3-dien-1-yl-[(cyclopenta-1,3-dien-1-ylamino)methylidene]azanium has a molecular weight of 173.24 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yl-[(cyclopenta-1,3-dien-1-ylamino)methylidene]azanium is sourced from PubChem (CID 164793032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).