3-phenyl-N-(3-prop-1-enylbenzene-4-id-1-yl)prop-2-enamide;tris(yttrium)

C18H13NOY3-4 — CID 140645971

IUPAC3-phenyl-N-(3-prop-1-enylbenzene-4-id-1-yl)prop-2-enamide;tris(yttrium)
SMILESC/[C-]=C/c1[c-]ccc(NC(=O)/[C-]=C/c2[c-]cccc2)c1.[Y].[Y].[Y]
InChIInChI=1S/C18H13NO.3Y/c1-2-7-16-10-6-11-17(14-16)19-18(20)13-12-15-8-4-3-5-9-15;;;/h3-8,11-12,14H,1H3,(H,19,20);;;/q-4;;;
InChIKeyDGZUJLJCGOYDPB-UHFFFAOYSA-N
MW526.03 g/mol
LogP3.57
Rot. Bonds4

About 3-phenyl-N-(3-prop-1-enylbenzene-4-id-1-yl)prop-2-enamide;tris(yttrium)

3-phenyl-N-(3-prop-1-enylbenzene-4-id-1-yl)prop-2-enamide;tris(yttrium) (PubChem CID 140645971) has the molecular formula C18H13NOY3-4 and a molecular weight of 526.03 g/mol. Its IUPAC name is 3-phenyl-N-(3-prop-1-enylbenzene-4-id-1-yl)prop-2-enamide;tris(yttrium).

Molecular Properties

Compound Name3-phenyl-N-(3-prop-1-enylbenzene-4-id-1-yl)prop-2-enamide;tris(yttrium)
PubChem CID140645971
Molecular FormulaC18H13NOY3-4
Molecular Weight526.03 g/mol
Exact Mass525.82
IUPAC Name3-phenyl-N-(3-prop-1-enylbenzene-4-id-1-yl)prop-2-enamide;tris(yttrium)
SMILESC/[C-]=C/c1[c-]ccc(NC(=O)/[C-]=C/c2[c-]cccc2)c1.[Y].[Y].[Y]
InChIInChI=1S/C18H13NO.3Y/c1-2-7-16-10-6-11-17(14-16)19-18(20)13-12-15-8-4-3-5-9-15;;;/h3-8,11-12,14H,1H3,(H,19,20);;;/q-4;;;
InChIKeyDGZUJLJCGOYDPB-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.03
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylpropane;(E)-N-methylsulfonyl-3-phenylprop-2-enamide;tungsten(2+)
CID 20660188
phenylmethylideneazanide;yttrium
CID 58999598
2-[(E)-2-phenylethenyl]benzaldehyde;yttrium
CID 155769853
2,2,2-trifluoro-N-phenylacetamide;yttrium(3+)
CID 54717323
calcium;bis(2-methylpropane);N-phenylcarbamate
CID 87412157
methyl N-[3-(1-phenylethylamino)phenyl]carbamate
CID 60942216
N-phenylacetamide
CID 101272191
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
methyl N-(3-chlorophenyl)carbamate
CID 16529
N-[3-(benzenesulfonyl)phenyl]acetamide;molecular hydrogen
CID 142001104
N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472
N-[3-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 43193722

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(3-prop-1-enylbenzene-4-id-1-yl)prop-2-enamide;tris(yttrium)?
The IUPAC name of 3-phenyl-N-(3-prop-1-enylbenzene-4-id-1-yl)prop-2-enamide;tris(yttrium) (CID 140645971) is 3-phenyl-N-(3-prop-1-enylbenzene-4-id-1-yl)prop-2-enamide;tris(yttrium).
What is the SMILES notation for 3-phenyl-N-(3-prop-1-enylbenzene-4-id-1-yl)prop-2-enamide;tris(yttrium)?
The canonical SMILES for 3-phenyl-N-(3-prop-1-enylbenzene-4-id-1-yl)prop-2-enamide;tris(yttrium) is C/[C-]=C/c1[c-]ccc(NC(=O)/[C-]=C/c2[c-]cccc2)c1.[Y].[Y].[Y].
What is the InChIKey of 3-phenyl-N-(3-prop-1-enylbenzene-4-id-1-yl)prop-2-enamide;tris(yttrium)?
The InChIKey is DGZUJLJCGOYDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO.3Y/c1-2-7-16-10-6-11-17(14-16)19-18(20)13-12-15-8-4-3-5-9-15;;;/h3-8,11-12,14H,1H3,(H,19,20);;;/q-4;;;.
What are the key properties of 3-phenyl-N-(3-prop-1-enylbenzene-4-id-1-yl)prop-2-enamide;tris(yttrium)?
3-phenyl-N-(3-prop-1-enylbenzene-4-id-1-yl)prop-2-enamide;tris(yttrium) has a molecular weight of 526.03 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(3-prop-1-enylbenzene-4-id-1-yl)prop-2-enamide;tris(yttrium) is sourced from PubChem (CID 140645971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).