N-(7-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium

C14H13NO2Y — CID 59524572

IUPACN-(7-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium
SMILESC=C(C)C(=O)Nc1cccc2ccc(O)cc12.[Y]
InChIInChI=1S/C14H13NO2.Y/c1-9(2)14(17)15-13-5-3-4-10-6-7-11(16)8-12(10)13;/h3-8,16H,1H2,2H3,(H,15,17);
InChIKeyRGAAMVJKQPTIHD-UHFFFAOYSA-N
MW316.17 g/mol
LogP3.06
Rot. Bonds2

About N-(7-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium

N-(7-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium (PubChem CID 59524572) has the molecular formula C14H13NO2Y and a molecular weight of 316.17 g/mol. Its IUPAC name is N-(7-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium.

Molecular Properties

Compound NameN-(7-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium
PubChem CID59524572
Molecular FormulaC14H13NO2Y
Molecular Weight316.17 g/mol
Exact Mass316.00
IUPAC NameN-(7-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium
SMILESC=C(C)C(=O)Nc1cccc2ccc(O)cc12.[Y]
InChIInChI=1S/C14H13NO2.Y/c1-9(2)14(17)15-13-5-3-4-10-6-7-11(16)8-12(10)13;/h3-8,16H,1H2,2H3,(H,15,17);
InChIKeyRGAAMVJKQPTIHD-UHFFFAOYSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(7-hydroxynaphthalen-1-yl)propanamide
CID 18475864
2-amino-N-(7-hydroxynaphthalen-1-yl)acetamide;hydrochloride
CID 70150550
(7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium
CID 59524574
propyl N-(7-hydroxynaphthalen-1-yl)carbamate
CID 19768158
1-(7-hydroxynaphthalen-1-yl)-3-(3-methylphenyl)urea
CID 54581579
N-(5,8-dihydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium
CID 59524620
1-(7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
CID 90803525
3-hydroxy-N-(7-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 21402830
ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide
CID 91324175
[5-(2-methylprop-2-enoylamino)naphthalen-1-yl]azanium
CID 140585854
N-[7-hydroxy-8-[2-hydroxy-8-(methylideneamino)naphthalen-1-yl]naphthalen-1-yl]acetamide;N-(7-hydroxynaphthalen-1-yl)acetamide
CID 159793336
1-(3,5-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54586433

Frequently Asked Questions

What is the IUPAC name of N-(7-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium?
The IUPAC name of N-(7-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium (CID 59524572) is N-(7-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium.
What is the SMILES notation for N-(7-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium?
The canonical SMILES for N-(7-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium is C=C(C)C(=O)Nc1cccc2ccc(O)cc12.[Y].
What is the InChIKey of N-(7-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium?
The InChIKey is RGAAMVJKQPTIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2.Y/c1-9(2)14(17)15-13-5-3-4-10-6-7-11(16)8-12(10)13;/h3-8,16H,1H2,2H3,(H,15,17);.
What are the key properties of N-(7-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium?
N-(7-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium has a molecular weight of 316.17 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium is sourced from PubChem (CID 59524572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).