amino-[(Z)-2-amino-2-[(2S,6S)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethenyl]azanide;rutherfordium

C12H14N3ORf- — CID 166475480

IUPACamino-[(Z)-2-amino-2-[(2S,6S)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethenyl]azanide;rutherfordium
SMILESN[N-]/C=C(\N)C1=C[C@@H]2C3C=CC(C3)[C@@H]2C1=O.[Rf]
InChIInChI=1S/C12H14N3O.Rf/c13-10(5-15-14)9-4-8-6-1-2-7(3-6)11(8)12(9)16;/h1-2,4-8,11H,3,13-14H2;/q-1;/b10-5-;/t6?,7?,8-,11+;/m1./s1
InChIKeyXDAFXJKRIGXHGV-MWZYRTNXSA-N
MW483.26 g/mol
LogP0.98
Rot. Bonds2

About amino-[(Z)-2-amino-2-[(2S,6S)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethenyl]azanide;rutherfordium

amino-[(Z)-2-amino-2-[(2S,6S)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethenyl]azanide;rutherfordium (PubChem CID 166475480) has the molecular formula C12H14N3ORf- and a molecular weight of 483.26 g/mol. Its IUPAC name is amino-[(Z)-2-amino-2-[(2S,6S)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethenyl]azanide;rutherfordium.

Molecular Properties

Compound Nameamino-[(Z)-2-amino-2-[(2S,6S)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethenyl]azanide;rutherfordium
PubChem CID166475480
Molecular FormulaC12H14N3ORf-
Molecular Weight483.26 g/mol
Exact Mass483.24
IUPAC Nameamino-[(Z)-2-amino-2-[(2S,6S)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethenyl]azanide;rutherfordium
SMILESN[N-]/C=C(\N)C1=C[C@@H]2C3C=CC(C3)[C@@H]2C1=O.[Rf]
InChIInChI=1S/C12H14N3O.Rf/c13-10(5-15-14)9-4-8-6-1-2-7(3-6)11(8)12(9)16;/h1-2,4-8,11H,3,13-14H2;/q-1;/b10-5-;/t6?,7?,8-,11+;/m1./s1
InChIKeyXDAFXJKRIGXHGV-MWZYRTNXSA-N
XLogP0.98
TPSA83.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.26
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-iodotricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 166475454
(1R,2S,6S,7S)-4-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 10965057
(1S,2R,6R,7R)-4-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 11332791
4-[2-(5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl)ethyl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 144879679
(2S,6R)-4-(trimethyl-λ4-sulfanyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 142809064
4-(trimethyl-λ4-sulfanyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 142809060
4-[2-(9-oxo-8-tricyclo[4.3.0.02,5]nona-3,7-dienyl)ethyl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 163616256
4-(1-methyl-1λ5-ioda-3-oxacyclobuta-1,4-dien-2-yl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 166475440
(1S,2R,4S,5R,8S,9S,11S,12R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione
CID 11889790
(2S,4S,5S,8S,9R,11R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione
CID 132540584
4,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
CID 5067256
(1R,2R,7R,8R)-4,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
CID 18556027

Frequently Asked Questions

What is the IUPAC name of amino-[(Z)-2-amino-2-[(2S,6S)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethenyl]azanide;rutherfordium?
The IUPAC name of amino-[(Z)-2-amino-2-[(2S,6S)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethenyl]azanide;rutherfordium (CID 166475480) is amino-[(Z)-2-amino-2-[(2S,6S)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethenyl]azanide;rutherfordium.
What is the SMILES notation for amino-[(Z)-2-amino-2-[(2S,6S)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethenyl]azanide;rutherfordium?
The canonical SMILES for amino-[(Z)-2-amino-2-[(2S,6S)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethenyl]azanide;rutherfordium is N[N-]/C=C(\N)C1=C[C@@H]2C3C=CC(C3)[C@@H]2C1=O.[Rf].
What is the InChIKey of amino-[(Z)-2-amino-2-[(2S,6S)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethenyl]azanide;rutherfordium?
The InChIKey is XDAFXJKRIGXHGV-MWZYRTNXSA-N. The full InChI is InChI=1S/C12H14N3O.Rf/c13-10(5-15-14)9-4-8-6-1-2-7(3-6)11(8)12(9)16;/h1-2,4-8,11H,3,13-14H2;/q-1;/b10-5-;/t6?,7?,8-,11+;/m1./s1.
What are the key properties of amino-[(Z)-2-amino-2-[(2S,6S)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethenyl]azanide;rutherfordium?
amino-[(Z)-2-amino-2-[(2S,6S)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethenyl]azanide;rutherfordium has a molecular weight of 483.26 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[(Z)-2-amino-2-[(2S,6S)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]ethenyl]azanide;rutherfordium is sourced from PubChem (CID 166475480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).