N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide

C11H17N3O — CID 52992831

IUPACN-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide
SMILESC=CCCC(=O)NCCn1ccnc1C
InChIInChI=1S/C11H17N3O/c1-3-4-5-11(15)13-7-9-14-8-6-12-10(14)2/h3,6,8H,1,4-5,7,9H2,2H3,(H,13,15)
InChIKeyAJZGZKGHBHFQNJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.27
Rot. Bonds6

About N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide

N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide (PubChem CID 52992831) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide.

Molecular Properties

Compound NameN-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide
PubChem CID52992831
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide
SMILESC=CCCC(=O)NCCn1ccnc1C
InChIInChI=1S/C11H17N3O/c1-3-4-5-11(15)13-7-9-14-8-6-12-10(14)2/h3,6,8H,1,4-5,7,9H2,2H3,(H,13,15)
InChIKeyAJZGZKGHBHFQNJ-UHFFFAOYSA-N
XLogP1.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide?
The IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide (CID 52992831) is N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide.
What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide?
The canonical SMILES for N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide is C=CCCC(=O)NCCn1ccnc1C.
What is the InChIKey of N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide?
The InChIKey is AJZGZKGHBHFQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-4-5-11(15)13-7-9-14-8-6-12-10(14)2/h3,6,8H,1,4-5,7,9H2,2H3,(H,13,15).
What are the key properties of N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide?
N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide has a molecular weight of 207.28 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide is sourced from PubChem (CID 52992831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).