(E)-3-(2-butyl-1H-imidazol-5-yl)prop-2-enamide

C10H15N3O — CID 55266971

IUPAC(E)-3-(2-butyl-1H-imidazol-5-yl)prop-2-enamide
SMILESCCCCc1ncc(/C=C/C(N)=O)[nH]1
InChIInChI=1S/C10H15N3O/c1-2-3-4-10-12-7-8(13-10)5-6-9(11)14/h5-7H,2-4H2,1H3,(H2,11,14)(H,12,13)/b6-5+
InChIKeyCYTCRWPXEHPVHW-AATRIKPKSA-N
MW193.25 g/mol
LogP1.25
Rot. Bonds5

About (E)-3-(2-butyl-1H-imidazol-5-yl)prop-2-enamide

(E)-3-(2-butyl-1H-imidazol-5-yl)prop-2-enamide (PubChem CID 55266971) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (E)-3-(2-butyl-1H-imidazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-butyl-1H-imidazol-5-yl)prop-2-enamide
PubChem CID55266971
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(E)-3-(2-butyl-1H-imidazol-5-yl)prop-2-enamide
SMILESCCCCc1ncc(/C=C/C(N)=O)[nH]1
InChIInChI=1S/C10H15N3O/c1-2-3-4-10-12-7-8(13-10)5-6-9(11)14/h5-7H,2-4H2,1H3,(H2,11,14)(H,12,13)/b6-5+
InChIKeyCYTCRWPXEHPVHW-AATRIKPKSA-N
XLogP1.25
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.25
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 (E)-3-(2-butyl-1H-imidazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2-butyl-1H-imidazol-5-yl)prop-2-enamide (CID 55266971) is (E)-3-(2-butyl-1H-imidazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-butyl-1H-imidazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-butyl-1H-imidazol-5-yl)prop-2-enamide is CCCCc1ncc(/C=C/C(N)=O)[nH]1.
What is the InChIKey of (E)-3-(2-butyl-1H-imidazol-5-yl)prop-2-enamide?
The InChIKey is CYTCRWPXEHPVHW-AATRIKPKSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-3-4-10-12-7-8(13-10)5-6-9(11)14/h5-7H,2-4H2,1H3,(H2,11,14)(H,12,13)/b6-5+.
What are the key properties of (E)-3-(2-butyl-1H-imidazol-5-yl)prop-2-enamide?
(E)-3-(2-butyl-1H-imidazol-5-yl)prop-2-enamide has a molecular weight of 193.25 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-butyl-1H-imidazol-5-yl)prop-2-enamide is sourced from PubChem (CID 55266971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).