(E)-N,N-di(ethyl)but-2-enamide;yttrium

C8H13NOY-2 — CID 58244894

IUPAC(E)-N,N-di(ethyl)but-2-enamide;yttrium
SMILES[CH2-]CN(C[CH2-])C(=O)/C=C/C.[Y]
InChIInChI=1S/C8H13NO.Y/c1-4-7-8(10)9(5-2)6-3;/h4,7H,2-3,5-6H2,1H3;/q-2;/b7-4+;
InChIKeyCPZDTLRLXIXPEV-KQGICBIGSA-N
MW228.10 g/mol
LogP1.06
Rot. Bonds3

About (E)-N,N-di(ethyl)but-2-enamide;yttrium

(E)-N,N-di(ethyl)but-2-enamide;yttrium (PubChem CID 58244894) has the molecular formula C8H13NOY-2 and a molecular weight of 228.10 g/mol. Its IUPAC name is (E)-N,N-di(ethyl)but-2-enamide;yttrium.

Molecular Properties

Compound Name(E)-N,N-di(ethyl)but-2-enamide;yttrium
PubChem CID58244894
Molecular FormulaC8H13NOY-2
Molecular Weight228.10 g/mol
Exact Mass228.01
IUPAC Name(E)-N,N-di(ethyl)but-2-enamide;yttrium
SMILES[CH2-]CN(C[CH2-])C(=O)/C=C/C.[Y]
InChIInChI=1S/C8H13NO.Y/c1-4-7-8(10)9(5-2)6-3;/h4,7H,2-3,5-6H2,1H3;/q-2;/b7-4+;
InChIKeyCPZDTLRLXIXPEV-KQGICBIGSA-N
XLogP1.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.10
LogP ≤ 51.06
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-di(ethyl)but-2-enamide;yttrium?
The IUPAC name of (E)-N,N-di(ethyl)but-2-enamide;yttrium (CID 58244894) is (E)-N,N-di(ethyl)but-2-enamide;yttrium.
What is the SMILES notation for (E)-N,N-di(ethyl)but-2-enamide;yttrium?
The canonical SMILES for (E)-N,N-di(ethyl)but-2-enamide;yttrium is [CH2-]CN(C[CH2-])C(=O)/C=C/C.[Y].
What is the InChIKey of (E)-N,N-di(ethyl)but-2-enamide;yttrium?
The InChIKey is CPZDTLRLXIXPEV-KQGICBIGSA-N. The full InChI is InChI=1S/C8H13NO.Y/c1-4-7-8(10)9(5-2)6-3;/h4,7H,2-3,5-6H2,1H3;/q-2;/b7-4+;.
What are the key properties of (E)-N,N-di(ethyl)but-2-enamide;yttrium?
(E)-N,N-di(ethyl)but-2-enamide;yttrium has a molecular weight of 228.10 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-di(ethyl)but-2-enamide;yttrium is sourced from PubChem (CID 58244894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).