N-heptyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide

C12H19N3O2 — CID 136626163

IUPACN-heptyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide
SMILESCCCCCCCNC(=O)C=C1N=CNC1=O
InChIInChI=1S/C12H19N3O2/c1-2-3-4-5-6-7-13-11(16)8-10-12(17)15-9-14-10/h8-9H,2-7H2,1H3,(H,13,16)(H,14,15,17)
InChIKeyVJLNEWFSNCILCU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.12
Rot. Bonds7

About N-heptyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide

N-heptyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide (PubChem CID 136626163) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-heptyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide.

Molecular Properties

Compound NameN-heptyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide
PubChem CID136626163
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-heptyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide
SMILESCCCCCCCNC(=O)C=C1N=CNC1=O
InChIInChI=1S/C12H19N3O2/c1-2-3-4-5-6-7-13-11(16)8-10-12(17)15-9-14-10/h8-9H,2-7H2,1H3,(H,13,16)(H,14,15,17)
InChIKeyVJLNEWFSNCILCU-UHFFFAOYSA-N
XLogP1.12
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-heptyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide?
The IUPAC name of N-heptyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide (CID 136626163) is N-heptyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide.
What is the SMILES notation for N-heptyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide?
The canonical SMILES for N-heptyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide is CCCCCCCNC(=O)C=C1N=CNC1=O.
What is the InChIKey of N-heptyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide?
The InChIKey is VJLNEWFSNCILCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-3-4-5-6-7-13-11(16)8-10-12(17)15-9-14-10/h8-9H,2-7H2,1H3,(H,13,16)(H,14,15,17).
What are the key properties of N-heptyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide?
N-heptyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide has a molecular weight of 237.30 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide is sourced from PubChem (CID 136626163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).