carbanide;cyclohexa-1,5-dien-1-yl(phenyl)methanone;yttrium

C14H14OY-2 — CID 176944216

IUPACcarbanide;cyclohexa-1,5-dien-1-yl(phenyl)methanone;yttrium
SMILESO=C(C1=CCCC=C1)c1cc[c-]cc1.[CH3-].[Y]
InChIInChI=1S/C13H11O.CH3.Y/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;;/h3,5-10H,1,4H2;1H3;/q2*-1;
InChIKeyRCSZEOKDSSBSNB-UHFFFAOYSA-N
MW287.17 g/mol
LogP3.39
Rot. Bonds2

About carbanide;cyclohexa-1,5-dien-1-yl(phenyl)methanone;yttrium

carbanide;cyclohexa-1,5-dien-1-yl(phenyl)methanone;yttrium (PubChem CID 176944216) has the molecular formula C14H14OY-2 and a molecular weight of 287.17 g/mol. Its IUPAC name is carbanide;cyclohexa-1,5-dien-1-yl(phenyl)methanone;yttrium.

Molecular Properties

Compound Namecarbanide;cyclohexa-1,5-dien-1-yl(phenyl)methanone;yttrium
PubChem CID176944216
Molecular FormulaC14H14OY-2
Molecular Weight287.17 g/mol
Exact Mass287.01
IUPAC Namecarbanide;cyclohexa-1,5-dien-1-yl(phenyl)methanone;yttrium
SMILESO=C(C1=CCCC=C1)c1cc[c-]cc1.[CH3-].[Y]
InChIInChI=1S/C13H11O.CH3.Y/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;;/h3,5-10H,1,4H2;1H3;/q2*-1;
InChIKeyRCSZEOKDSSBSNB-UHFFFAOYSA-N
XLogP3.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze carbanide;cyclohexa-1,5-dien-1-yl(phenyl)methanone;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

di(cyclohexa-1,5-dien-1-yl)methanone;ethane
CID 144664025
(3-benzoyl-5-methylphenyl)-cyclohexa-1,5-dien-1-ylmethanone
CID 144619671
anthracen-2-yl(cyclohexa-1,5-dien-1-yl)methanone
CID 126606855
[4-(cyclohexa-1,5-diene-1-carbonyl)phenyl] 2-methylprop-2-enoate
CID 69301341
zinc;1-phenylethanone;chloride
CID 159964610
1λ3-iodacyclohexa-1,3,5-trien-4-yl(phenyl)methanone;zinc
CID 163940831
2-[3-(cyclohexa-1,5-diene-1-carbonyl)phenyl]butanoic acid
CID 155066506
4-(cyclohexa-1,5-diene-1-carbonyl)cyclohexa-1,3-diene-1-carboxamide
CID 163929031
1-cyclohexa-1,5-dien-1-yl-2,2-dimethylpropan-1-one
CID 19747828
2-[cyclohexa-1,5-dien-1-yl(phenyl)methylidene]propanedinitrile
CID 143467248
1-phenylethanone;tungsten
CID 58914497
[4-(2-hydroxybenzoyl)phenyl] cyclohexa-1,5-diene-1-carboxylate
CID 89324532

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclohexa-1,5-dien-1-yl(phenyl)methanone;yttrium?
The IUPAC name of carbanide;cyclohexa-1,5-dien-1-yl(phenyl)methanone;yttrium (CID 176944216) is carbanide;cyclohexa-1,5-dien-1-yl(phenyl)methanone;yttrium.
What is the SMILES notation for carbanide;cyclohexa-1,5-dien-1-yl(phenyl)methanone;yttrium?
The canonical SMILES for carbanide;cyclohexa-1,5-dien-1-yl(phenyl)methanone;yttrium is O=C(C1=CCCC=C1)c1cc[c-]cc1.[CH3-].[Y].
What is the InChIKey of carbanide;cyclohexa-1,5-dien-1-yl(phenyl)methanone;yttrium?
The InChIKey is RCSZEOKDSSBSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11O.CH3.Y/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;;/h3,5-10H,1,4H2;1H3;/q2*-1;.
What are the key properties of carbanide;cyclohexa-1,5-dien-1-yl(phenyl)methanone;yttrium?
carbanide;cyclohexa-1,5-dien-1-yl(phenyl)methanone;yttrium has a molecular weight of 287.17 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclohexa-1,5-dien-1-yl(phenyl)methanone;yttrium is sourced from PubChem (CID 176944216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).