(E)-2-cyanopent-2-enamide

C6H8N2O — CID 144646393

IUPAC(E)-2-cyanopent-2-enamide
SMILESCC/C=C(\C#N)C(N)=O
InChIInChI=1S/C6H8N2O/c1-2-3-5(4-7)6(8)9/h3H,2H2,1H3,(H2,8,9)/b5-3+
InChIKeyDTCKIDMCHQDXHU-HWKANZROSA-N
MW124.14 g/mol
LogP0.33
Rot. Bonds2

About (E)-2-cyanopent-2-enamide

(E)-2-cyanopent-2-enamide (PubChem CID 144646393) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is (E)-2-cyanopent-2-enamide.

Molecular Properties

Compound Name(E)-2-cyanopent-2-enamide
PubChem CID144646393
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name(E)-2-cyanopent-2-enamide
SMILESCC/C=C(\C#N)C(N)=O
InChIInChI=1S/C6H8N2O/c1-2-3-5(4-7)6(8)9/h3H,2H2,1H3,(H2,8,9)/b5-3+
InChIKeyDTCKIDMCHQDXHU-HWKANZROSA-N
XLogP0.33
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyanopent-2-enamide?
The IUPAC name of (E)-2-cyanopent-2-enamide (CID 144646393) is (E)-2-cyanopent-2-enamide.
What is the SMILES notation for (E)-2-cyanopent-2-enamide?
The canonical SMILES for (E)-2-cyanopent-2-enamide is CC/C=C(\C#N)C(N)=O.
What is the InChIKey of (E)-2-cyanopent-2-enamide?
The InChIKey is DTCKIDMCHQDXHU-HWKANZROSA-N. The full InChI is InChI=1S/C6H8N2O/c1-2-3-5(4-7)6(8)9/h3H,2H2,1H3,(H2,8,9)/b5-3+.
What are the key properties of (E)-2-cyanopent-2-enamide?
(E)-2-cyanopent-2-enamide has a molecular weight of 124.14 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyanopent-2-enamide is sourced from PubChem (CID 144646393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).