N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide

C8H11N3O — CID 15178308

IUPACN-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C8H11N3O/c1-2-8(12)10-4-3-7-5-9-6-11-7/h2,5-6H,1,3-4H2,(H,9,11)(H,10,12)
InChIKeyPDNUJRVEYKRJFO-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.25
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide

N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide (PubChem CID 15178308) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
PubChem CID15178308
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C8H11N3O/c1-2-8(12)10-4-3-7-5-9-6-11-7/h2,5-6H,1,3-4H2,(H,9,11)(H,10,12)
InChIKeyPDNUJRVEYKRJFO-UHFFFAOYSA-N
XLogP0.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.25
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 N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide (CID 15178308) is N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide is C=CC(=O)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide?
The InChIKey is PDNUJRVEYKRJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-2-8(12)10-4-3-7-5-9-6-11-7/h2,5-6H,1,3-4H2,(H,9,11)(H,10,12).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide?
N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide has a molecular weight of 165.20 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 15178308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).