N-(5,8-dihydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium

C14H13NO3Y — CID 59524620

IUPACN-(5,8-dihydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium
SMILESC=C(C)C(=O)Nc1cccc2c(O)ccc(O)c12.[Y]
InChIInChI=1S/C14H13NO3.Y/c1-8(2)14(18)15-10-5-3-4-9-11(16)6-7-12(17)13(9)10;/h3-7,16-17H,1H2,2H3,(H,15,18);
InChIKeyFAXVXLVTTSPYIX-UHFFFAOYSA-N
MW332.17 g/mol
LogP2.76
Rot. Bonds2

About N-(5,8-dihydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium

N-(5,8-dihydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium (PubChem CID 59524620) has the molecular formula C14H13NO3Y and a molecular weight of 332.17 g/mol. Its IUPAC name is N-(5,8-dihydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium.

Molecular Properties

Compound NameN-(5,8-dihydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium
PubChem CID59524620
Molecular FormulaC14H13NO3Y
Molecular Weight332.17 g/mol
Exact Mass332.00
IUPAC NameN-(5,8-dihydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium
SMILESC=C(C)C(=O)Nc1cccc2c(O)ccc(O)c12.[Y]
InChIInChI=1S/C14H13NO3.Y/c1-8(2)14(18)15-10-5-3-4-9-11(16)6-7-12(17)13(9)10;/h3-7,16-17H,1H2,2H3,(H,15,18);
InChIKeyFAXVXLVTTSPYIX-UHFFFAOYSA-N
XLogP2.76
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-formyl-6-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide
CID 163702542
[5-(2-methylprop-2-enoylamino)naphthalen-1-yl]azanium
CID 140585854
N-(7-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium
CID 59524572
5-aminonaphthalen-1-ol;[5-(2-methylprop-2-enoylamino)naphthalen-1-yl] 2-methylprop-2-enoate
CID 161447927
2-(2-methylprop-2-enoylamino)benzenesulfinic acid
CID 57149174
N-(2-ethylphenyl)-2-methylprop-2-enamide
CID 54544779
N'-(5-hydroxynaphthalen-1-yl)-N-(2-hydroxyphenyl)oxamide
CID 108509252
N-(2-formylphenyl)-2-methylprop-2-enamide
CID 154120209
2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 86076819
N-(2-hydroxy-5-methoxyphenyl)-2-methylprop-2-enamide
CID 139950006
2-methyl-N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 89097906
methyl 2-(2-methylprop-2-enoylamino)benzoate
CID 23293368

Frequently Asked Questions

What is the IUPAC name of N-(5,8-dihydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium?
The IUPAC name of N-(5,8-dihydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium (CID 59524620) is N-(5,8-dihydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium.
What is the SMILES notation for N-(5,8-dihydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium?
The canonical SMILES for N-(5,8-dihydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium is C=C(C)C(=O)Nc1cccc2c(O)ccc(O)c12.[Y].
What is the InChIKey of N-(5,8-dihydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium?
The InChIKey is FAXVXLVTTSPYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3.Y/c1-8(2)14(18)15-10-5-3-4-9-11(16)6-7-12(17)13(9)10;/h3-7,16-17H,1H2,2H3,(H,15,18);.
What are the key properties of N-(5,8-dihydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium?
N-(5,8-dihydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium has a molecular weight of 332.17 g/mol, XLogP of 2.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,8-dihydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium is sourced from PubChem (CID 59524620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).