carbanide;ethane;2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;tungsten;yttrium

C19H33NWY-2 — CID 159349372

IUPACcarbanide;ethane;2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;tungsten;yttrium
SMILESCC.[CH3-].[CH3-].[W].[Y].c1ccc(CCN2CC3CCCC3C2)cc1
InChIInChI=1S/C15H21N.C2H6.2CH3.W.Y/c1-2-5-13(6-3-1)9-10-16-11-14-7-4-8-15(14)12-16;1-2;;;;/h1-3,5-6,14-15H,4,7-12H2;1-2H3;2*1H3;;/q;;2*-1;;
InChIKeyIUVWCLGGUQRODE-UHFFFAOYSA-N
MW548.23 g/mol
LogP4.88
Rot. Bonds3

About carbanide;ethane;2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;tungsten;yttrium

carbanide;ethane;2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;tungsten;yttrium (PubChem CID 159349372) has the molecular formula C19H33NWY-2 and a molecular weight of 548.23 g/mol. Its IUPAC name is carbanide;ethane;2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;tungsten;yttrium.

Molecular Properties

Compound Namecarbanide;ethane;2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;tungsten;yttrium
PubChem CID159349372
Molecular FormulaC19H33NWY-2
Molecular Weight548.23 g/mol
Exact Mass548.12
IUPAC Namecarbanide;ethane;2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;tungsten;yttrium
SMILESCC.[CH3-].[CH3-].[W].[Y].c1ccc(CCN2CC3CCCC3C2)cc1
InChIInChI=1S/C15H21N.C2H6.2CH3.W.Y/c1-2-5-13(6-3-1)9-10-16-11-14-7-4-8-15(14)12-16;1-2;;;;/h1-3,5-6,14-15H,4,7-12H2;1-2H3;2*1H3;;/q;;2*-1;;
InChIKeyIUVWCLGGUQRODE-UHFFFAOYSA-N
XLogP4.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.23
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3aS,6aR)-2-methyl-5-(2-phenylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118534999
4-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]aniline
CID 113335546
(3aR,6aS)-5-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;propane
CID 144963091
(4aS,7aS)-6-(2-phenylethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 104870048
5-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60971520
(4aR,8aS)-1-methylsulfonyl-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 14781047
9-ethoxy-9-phenyl-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonane
CID 24833907
N,N-dimethyl-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide
CID 45245585
[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenyl]methanamine
CID 115560349
3-(2-phenylethyl)-6-oxa-3-azabicyclo[3.1.0]hexane
CID 54116015
(3aR,7R,7aS)-7-methyl-2-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one
CID 133140047
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol
CID 115562031

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;tungsten;yttrium?
The IUPAC name of carbanide;ethane;2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;tungsten;yttrium (CID 159349372) is carbanide;ethane;2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;tungsten;yttrium.
What is the SMILES notation for carbanide;ethane;2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;tungsten;yttrium?
The canonical SMILES for carbanide;ethane;2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;tungsten;yttrium is CC.[CH3-].[CH3-].[W].[Y].c1ccc(CCN2CC3CCCC3C2)cc1.
What is the InChIKey of carbanide;ethane;2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;tungsten;yttrium?
The InChIKey is IUVWCLGGUQRODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N.C2H6.2CH3.W.Y/c1-2-5-13(6-3-1)9-10-16-11-14-7-4-8-15(14)12-16;1-2;;;;/h1-3,5-6,14-15H,4,7-12H2;1-2H3;2*1H3;;/q;;2*-1;;.
What are the key properties of carbanide;ethane;2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;tungsten;yttrium?
carbanide;ethane;2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;tungsten;yttrium has a molecular weight of 548.23 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;tungsten;yttrium is sourced from PubChem (CID 159349372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).