carbanide;(4-ethyl-1,4-diazepan-1-yl)methanone;tungsten;vanadium;yttrium

C11H23N2OVWY-5 — CID 91866373

IUPACcarbanide;(4-ethyl-1,4-diazepan-1-yl)methanone;tungsten;vanadium;yttrium
SMILES[CH2-]CN1CCCN([C-]=O)CC1.[CH3-].[CH3-].[CH3-].[V].[W].[Y]
InChIInChI=1S/C8H14N2O.3CH3.V.W.Y/c1-2-9-4-3-5-10(8-11)7-6-9;;;;;;/h1-7H2;3*1H3;;;/q-2;3*-1;;;
InChIKeyLYRJTXJUHVQHBB-UHFFFAOYSA-N
MW523.01 g/mol
LogP1.24
Rot. Bonds2

About carbanide;(4-ethyl-1,4-diazepan-1-yl)methanone;tungsten;vanadium;yttrium

carbanide;(4-ethyl-1,4-diazepan-1-yl)methanone;tungsten;vanadium;yttrium (PubChem CID 91866373) has the molecular formula C11H23N2OVWY-5 and a molecular weight of 523.01 g/mol. Its IUPAC name is carbanide;(4-ethyl-1,4-diazepan-1-yl)methanone;tungsten;vanadium;yttrium.

Molecular Properties

Compound Namecarbanide;(4-ethyl-1,4-diazepan-1-yl)methanone;tungsten;vanadium;yttrium
PubChem CID91866373
Molecular FormulaC11H23N2OVWY-5
Molecular Weight523.01 g/mol
Exact Mass522.98
IUPAC Namecarbanide;(4-ethyl-1,4-diazepan-1-yl)methanone;tungsten;vanadium;yttrium
SMILES[CH2-]CN1CCCN([C-]=O)CC1.[CH3-].[CH3-].[CH3-].[V].[W].[Y]
InChIInChI=1S/C8H14N2O.3CH3.V.W.Y/c1-2-9-4-3-5-10(8-11)7-6-9;;;;;;/h1-7H2;3*1H3;;;/q-2;3*-1;;;
InChIKeyLYRJTXJUHVQHBB-UHFFFAOYSA-N
XLogP1.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.01
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azetidin-1-ylmethanone;ethane;tungsten(2+)
CID 59337253
potassium [4-(3-propan-2-yloxypropyl)piperazin-1-yl]methanone
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3-methyl-1-[4-[[1-(oxomethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one;yttrium
CID 176578268
carbanide;cyclopenta-1,3-diene;1-ethylpyrrolidine;titanium
CID 87686382
1-ethylazetidine;3-(2,2,3,3-tetramethylbutyl)pyrrolidin-1-ide-2,5-dione;yttrium
CID 147380482
1-propylazepane;yttrium
CID 59057891
2-[5-(carboxymethyl)-1,5-diazocan-1-yl]acetic acid
CID 4776245
1-[2-(azetidin-1-yl)ethyl]azetidine
CID 130845040
2-[7,14-bis(carboxymethyl)-1,4-dioxa-7,10,14-triazacyclohexadec-10-yl]acetic acid
CID 101053388
carbanide;[4-(2,2-dihydroxyethyl)piperidin-1-yl]methanone;vanadium(2+)
CID 20707842
2-[4,7,10-tris(carboxymethyl)-9-methyl-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid
CID 145309569
2-(azetidin-1-yl)acetamide
CID 18923030

Frequently Asked Questions

What is the IUPAC name of carbanide;(4-ethyl-1,4-diazepan-1-yl)methanone;tungsten;vanadium;yttrium?
The IUPAC name of carbanide;(4-ethyl-1,4-diazepan-1-yl)methanone;tungsten;vanadium;yttrium (CID 91866373) is carbanide;(4-ethyl-1,4-diazepan-1-yl)methanone;tungsten;vanadium;yttrium.
What is the SMILES notation for carbanide;(4-ethyl-1,4-diazepan-1-yl)methanone;tungsten;vanadium;yttrium?
The canonical SMILES for carbanide;(4-ethyl-1,4-diazepan-1-yl)methanone;tungsten;vanadium;yttrium is [CH2-]CN1CCCN([C-]=O)CC1.[CH3-].[CH3-].[CH3-].[V].[W].[Y].
What is the InChIKey of carbanide;(4-ethyl-1,4-diazepan-1-yl)methanone;tungsten;vanadium;yttrium?
The InChIKey is LYRJTXJUHVQHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.3CH3.V.W.Y/c1-2-9-4-3-5-10(8-11)7-6-9;;;;;;/h1-7H2;3*1H3;;;/q-2;3*-1;;;.
What are the key properties of carbanide;(4-ethyl-1,4-diazepan-1-yl)methanone;tungsten;vanadium;yttrium?
carbanide;(4-ethyl-1,4-diazepan-1-yl)methanone;tungsten;vanadium;yttrium has a molecular weight of 523.01 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(4-ethyl-1,4-diazepan-1-yl)methanone;tungsten;vanadium;yttrium is sourced from PubChem (CID 91866373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).