(3S)-3-amino-azanidacycloheptan-2-one;carbanide;tungsten(2+);yttrium

C8H17N2OWY- — CID 91866773

IUPAC(3S)-3-amino-azanidacycloheptan-2-one;carbanide;tungsten(2+);yttrium
SMILESN[C@H]1CCCC[N-]C1=O.[CH3-].[CH3-].[W+2].[Y]
InChIInChI=1S/C6H12N2O.2CH3.W.Y/c7-5-3-1-2-4-8-6(5)9;;;;/h5H,1-4,7H2,(H,8,9);2*1H3;;/q;2*-1;+2;/p-1/t5-;;;;/m0..../s1
InChIKeyJJKWWWIUIQSDIU-OUTKXMMCSA-M
MW429.98 g/mol
LogP1.29
Rot. Bonds

About (3S)-3-amino-azanidacycloheptan-2-one;carbanide;tungsten(2+);yttrium

(3S)-3-amino-azanidacycloheptan-2-one;carbanide;tungsten(2+);yttrium (PubChem CID 91866773) has the molecular formula C8H17N2OWY- and a molecular weight of 429.98 g/mol. Its IUPAC name is (3S)-3-amino-azanidacycloheptan-2-one;carbanide;tungsten(2+);yttrium.

Molecular Properties

Compound Name(3S)-3-amino-azanidacycloheptan-2-one;carbanide;tungsten(2+);yttrium
PubChem CID91866773
Molecular FormulaC8H17N2OWY-
Molecular Weight429.98 g/mol
Exact Mass429.99
IUPAC Name(3S)-3-amino-azanidacycloheptan-2-one;carbanide;tungsten(2+);yttrium
SMILESN[C@H]1CCCC[N-]C1=O.[CH3-].[CH3-].[W+2].[Y]
InChIInChI=1S/C6H12N2O.2CH3.W.Y/c7-5-3-1-2-4-8-6(5)9;;;;/h5H,1-4,7H2,(H,8,9);2*1H3;;/q;2*-1;+2;/p-1/t5-;;;;/m0..../s1
InChIKeyJJKWWWIUIQSDIU-OUTKXMMCSA-M
XLogP1.29
TPSA57.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.98
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze (3S)-3-amino-azanidacycloheptan-2-one;carbanide;tungsten(2+);yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium (3S)-3-methyl-azanidacycloheptan-2-one
CID 59080497
3-methyl-azanidacyclononan-2-one;rubidium(1+)
CID 59032741
3-aminoazepan-2-one;nickel
CID 88838711
3-amino-2-oxocyclohexane-1-carbonitrile
CID 145314631
trans-(3R,9R)-3,9-diamino-1,7-diazacyclododecane-2,8-dione
CID 101477400
CID 156803365
CID 156803365
(3S)-3-amino-1-hydroxyazepan-2-one
CID 16752816
(3S)-3-amino-1-methylazepan-2-one
CID 14003483
tetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate
CID 139176759
chromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate
CID 139198738
3-amino-1-methylazepan-2-one;hydrochloride
CID 67416250
4-amino-1-ethylsulfonylazepan-3-one
CID 141047357

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-azanidacycloheptan-2-one;carbanide;tungsten(2+);yttrium?
The IUPAC name of (3S)-3-amino-azanidacycloheptan-2-one;carbanide;tungsten(2+);yttrium (CID 91866773) is (3S)-3-amino-azanidacycloheptan-2-one;carbanide;tungsten(2+);yttrium.
What is the SMILES notation for (3S)-3-amino-azanidacycloheptan-2-one;carbanide;tungsten(2+);yttrium?
The canonical SMILES for (3S)-3-amino-azanidacycloheptan-2-one;carbanide;tungsten(2+);yttrium is N[C@H]1CCCC[N-]C1=O.[CH3-].[CH3-].[W+2].[Y].
What is the InChIKey of (3S)-3-amino-azanidacycloheptan-2-one;carbanide;tungsten(2+);yttrium?
The InChIKey is JJKWWWIUIQSDIU-OUTKXMMCSA-M. The full InChI is InChI=1S/C6H12N2O.2CH3.W.Y/c7-5-3-1-2-4-8-6(5)9;;;;/h5H,1-4,7H2,(H,8,9);2*1H3;;/q;2*-1;+2;/p-1/t5-;;;;/m0..../s1.
What are the key properties of (3S)-3-amino-azanidacycloheptan-2-one;carbanide;tungsten(2+);yttrium?
(3S)-3-amino-azanidacycloheptan-2-one;carbanide;tungsten(2+);yttrium has a molecular weight of 429.98 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-azanidacycloheptan-2-one;carbanide;tungsten(2+);yttrium is sourced from PubChem (CID 91866773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).