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

C6H7N3O — CID 5364162

IUPAC(E)-3-(1H-imidazol-5-yl)prop-2-enamide
SMILESNC(=O)/C=C/c1cnc[nH]1
InChIInChI=1S/C6H7N3O/c7-6(10)2-1-5-3-8-4-9-5/h1-4H,(H2,7,10)(H,8,9)/b2-1+
InChIKeyCKJRUPKSMAKXNR-OWOJBTEDSA-N
MW137.14 g/mol
LogP-0.09
Rot. Bonds2

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

(E)-3-(1H-imidazol-5-yl)prop-2-enamide (PubChem CID 5364162) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is (E)-3-(1H-imidazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1H-imidazol-5-yl)prop-2-enamide
PubChem CID5364162
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name(E)-3-(1H-imidazol-5-yl)prop-2-enamide
SMILESNC(=O)/C=C/c1cnc[nH]1
InChIInChI=1S/C6H7N3O/c7-6(10)2-1-5-3-8-4-9-5/h1-4H,(H2,7,10)(H,8,9)/b2-1+
InChIKeyCKJRUPKSMAKXNR-OWOJBTEDSA-N
XLogP-0.09
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 5-0.09
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-(1H-imidazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(1H-imidazol-5-yl)prop-2-enamide (CID 5364162) is (E)-3-(1H-imidazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1H-imidazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(1H-imidazol-5-yl)prop-2-enamide is NC(=O)/C=C/c1cnc[nH]1.
What is the InChIKey of (E)-3-(1H-imidazol-5-yl)prop-2-enamide?
The InChIKey is CKJRUPKSMAKXNR-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H7N3O/c7-6(10)2-1-5-3-8-4-9-5/h1-4H,(H2,7,10)(H,8,9)/b2-1+.
What are the key properties of (E)-3-(1H-imidazol-5-yl)prop-2-enamide?
(E)-3-(1H-imidazol-5-yl)prop-2-enamide has a molecular weight of 137.14 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1H-imidazol-5-yl)prop-2-enamide is sourced from PubChem (CID 5364162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).