(2E)-N-carbamoyl-2-ethylidenepentanamide

C8H14N2O2 — CID 24847543

IUPAC(2E)-N-carbamoyl-2-ethylidenepentanamide
SMILESC/C=C(\CCC)C(=O)NC(N)=O
InChIInChI=1S/C8H14N2O2/c1-3-5-6(4-2)7(11)10-8(9)12/h4H,3,5H2,1-2H3,(H3,9,10,11,12)/b6-4+
InChIKeyJCXRJAHEVLHYQV-GQCTYLIASA-N
MW170.21 g/mol
LogP0.93
Rot. Bonds3

About (2E)-N-carbamoyl-2-ethylidenepentanamide

(2E)-N-carbamoyl-2-ethylidenepentanamide (PubChem CID 24847543) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (2E)-N-carbamoyl-2-ethylidenepentanamide.

Molecular Properties

Compound Name(2E)-N-carbamoyl-2-ethylidenepentanamide
PubChem CID24847543
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(2E)-N-carbamoyl-2-ethylidenepentanamide
SMILESC/C=C(\CCC)C(=O)NC(N)=O
InChIInChI=1S/C8H14N2O2/c1-3-5-6(4-2)7(11)10-8(9)12/h4H,3,5H2,1-2H3,(H3,9,10,11,12)/b6-4+
InChIKeyJCXRJAHEVLHYQV-GQCTYLIASA-N
XLogP0.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.93
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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Frequently Asked Questions

What is the IUPAC name of (2E)-N-carbamoyl-2-ethylidenepentanamide?
The IUPAC name of (2E)-N-carbamoyl-2-ethylidenepentanamide (CID 24847543) is (2E)-N-carbamoyl-2-ethylidenepentanamide.
What is the SMILES notation for (2E)-N-carbamoyl-2-ethylidenepentanamide?
The canonical SMILES for (2E)-N-carbamoyl-2-ethylidenepentanamide is C/C=C(\CCC)C(=O)NC(N)=O.
What is the InChIKey of (2E)-N-carbamoyl-2-ethylidenepentanamide?
The InChIKey is JCXRJAHEVLHYQV-GQCTYLIASA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-5-6(4-2)7(11)10-8(9)12/h4H,3,5H2,1-2H3,(H3,9,10,11,12)/b6-4+.
What are the key properties of (2E)-N-carbamoyl-2-ethylidenepentanamide?
(2E)-N-carbamoyl-2-ethylidenepentanamide has a molecular weight of 170.21 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-carbamoyl-2-ethylidenepentanamide is sourced from PubChem (CID 24847543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).