2-ethanimidoyl-N-ethyl-3-methylbut-2-enamide

C9H16N2O — CID 89393527

IUPAC2-ethanimidoyl-N-ethyl-3-methylbut-2-enamide
SMILES[H]/N=C(\C)C(C(=O)NCC)=C(C)C
InChIInChI=1S/C9H16N2O/c1-5-11-9(12)8(6(2)3)7(4)10/h10H,5H2,1-4H3,(H,11,12)/b10-7+
InChIKeyYHCABTLMPSOHHN-JXMROGBWSA-N
MW168.24 g/mol
LogP1.50
Rot. Bonds3

About 2-ethanimidoyl-N-ethyl-3-methylbut-2-enamide

2-ethanimidoyl-N-ethyl-3-methylbut-2-enamide (PubChem CID 89393527) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-ethanimidoyl-N-ethyl-3-methylbut-2-enamide.

Molecular Properties

Compound Name2-ethanimidoyl-N-ethyl-3-methylbut-2-enamide
PubChem CID89393527
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-ethanimidoyl-N-ethyl-3-methylbut-2-enamide
SMILES[H]/N=C(\C)C(C(=O)NCC)=C(C)C
InChIInChI=1S/C9H16N2O/c1-5-11-9(12)8(6(2)3)7(4)10/h10H,5H2,1-4H3,(H,11,12)/b10-7+
InChIKeyYHCABTLMPSOHHN-JXMROGBWSA-N
XLogP1.50
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethanimidoyl-N-ethyl-3-methylbut-2-enamide?
The IUPAC name of 2-ethanimidoyl-N-ethyl-3-methylbut-2-enamide (CID 89393527) is 2-ethanimidoyl-N-ethyl-3-methylbut-2-enamide.
What is the SMILES notation for 2-ethanimidoyl-N-ethyl-3-methylbut-2-enamide?
The canonical SMILES for 2-ethanimidoyl-N-ethyl-3-methylbut-2-enamide is [H]/N=C(\C)C(C(=O)NCC)=C(C)C.
What is the InChIKey of 2-ethanimidoyl-N-ethyl-3-methylbut-2-enamide?
The InChIKey is YHCABTLMPSOHHN-JXMROGBWSA-N. The full InChI is InChI=1S/C9H16N2O/c1-5-11-9(12)8(6(2)3)7(4)10/h10H,5H2,1-4H3,(H,11,12)/b10-7+.
What are the key properties of 2-ethanimidoyl-N-ethyl-3-methylbut-2-enamide?
2-ethanimidoyl-N-ethyl-3-methylbut-2-enamide has a molecular weight of 168.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethanimidoyl-N-ethyl-3-methylbut-2-enamide is sourced from PubChem (CID 89393527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).