N-but-2-en-2-yl-N,2-dimethylbutanamide;yttrium

C10H18NOY- — CID 162288992

IUPACN-but-2-en-2-yl-N,2-dimethylbutanamide;yttrium
SMILESC/[C-]=C(/C)N(C)C(=O)C(C)CC.[Y]
InChIInChI=1S/C10H18NO.Y/c1-6-8(3)10(12)11(5)9(4)7-2;/h8H,6H2,1-5H3;/q-1;
InChIKeyZGXTUKJTNGWVGX-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.22
Rot. Bonds3

About N-but-2-en-2-yl-N,2-dimethylbutanamide;yttrium

N-but-2-en-2-yl-N,2-dimethylbutanamide;yttrium (PubChem CID 162288992) has the molecular formula C10H18NOY- and a molecular weight of 257.17 g/mol. Its IUPAC name is N-but-2-en-2-yl-N,2-dimethylbutanamide;yttrium.

Molecular Properties

Compound NameN-but-2-en-2-yl-N,2-dimethylbutanamide;yttrium
PubChem CID162288992
Molecular FormulaC10H18NOY-
Molecular Weight257.17 g/mol
Exact Mass257.05
IUPAC NameN-but-2-en-2-yl-N,2-dimethylbutanamide;yttrium
SMILESC/[C-]=C(/C)N(C)C(=O)C(C)CC.[Y]
InChIInChI=1S/C10H18NO.Y/c1-6-8(3)10(12)11(5)9(4)7-2;/h8H,6H2,1-5H3;/q-1;
InChIKeyZGXTUKJTNGWVGX-UHFFFAOYSA-N
XLogP2.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-acetyl-N,2-dimethylbutanamide;ethane
CID 177191863
(2R)-N-hydroxy-N,2-dimethylbutanamide
CID 171076136
N-ethyl-N,2-dimethylbutanamide
CID 89343843
N-methoxy-N,2-dimethylbutanamide;2-methylbutanal
CID 160908077
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
N,2-dimethyl-N-propylbutanamide
CID 89368936
N,2-dimethyl-N-(3-methylheptan-4-yl)butanamide;ethane
CID 142005594
N-(2-bromoethyl)-N,2-dimethylbutanamide
CID 80658346
N-methyl-N-(2-methylbutanethioyl)propanamide
CID 155185491
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide
CID 76910787
(E)-1-(dimethylamino)-4-methylhex-1-en-3-one
CID 130511571
N-methoxy-N,2,4-trimethylpentanamide
CID 161245608

Frequently Asked Questions

What is the IUPAC name of N-but-2-en-2-yl-N,2-dimethylbutanamide;yttrium?
The IUPAC name of N-but-2-en-2-yl-N,2-dimethylbutanamide;yttrium (CID 162288992) is N-but-2-en-2-yl-N,2-dimethylbutanamide;yttrium.
What is the SMILES notation for N-but-2-en-2-yl-N,2-dimethylbutanamide;yttrium?
The canonical SMILES for N-but-2-en-2-yl-N,2-dimethylbutanamide;yttrium is C/[C-]=C(/C)N(C)C(=O)C(C)CC.[Y].
What is the InChIKey of N-but-2-en-2-yl-N,2-dimethylbutanamide;yttrium?
The InChIKey is ZGXTUKJTNGWVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18NO.Y/c1-6-8(3)10(12)11(5)9(4)7-2;/h8H,6H2,1-5H3;/q-1;.
What are the key properties of N-but-2-en-2-yl-N,2-dimethylbutanamide;yttrium?
N-but-2-en-2-yl-N,2-dimethylbutanamide;yttrium has a molecular weight of 257.17 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-en-2-yl-N,2-dimethylbutanamide;yttrium is sourced from PubChem (CID 162288992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).