(E)-hex-2-enamide

C6H11NO — CID 6505436

IUPAC(E)-hex-2-enamide
SMILESCCC/C=C/C(N)=O
InChIInChI=1S/C6H11NO/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H2,7,8)/b5-4+
InChIKeyBZEUYEFVVDTLOD-SNAWJCMRSA-N
MW113.16 g/mol
LogP0.83
Rot. Bonds3

About (E)-hex-2-enamide

(E)-hex-2-enamide (PubChem CID 6505436) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (E)-hex-2-enamide.

Molecular Properties

Compound Name(E)-hex-2-enamide
PubChem CID6505436
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(E)-hex-2-enamide
SMILESCCC/C=C/C(N)=O
InChIInChI=1S/C6H11NO/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H2,7,8)/b5-4+
InChIKeyBZEUYEFVVDTLOD-SNAWJCMRSA-N
XLogP0.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-hex-2-enamide?
The IUPAC name of (E)-hex-2-enamide (CID 6505436) is (E)-hex-2-enamide.
What is the SMILES notation for (E)-hex-2-enamide?
The canonical SMILES for (E)-hex-2-enamide is CCC/C=C/C(N)=O.
What is the InChIKey of (E)-hex-2-enamide?
The InChIKey is BZEUYEFVVDTLOD-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H2,7,8)/b5-4+.
What are the key properties of (E)-hex-2-enamide?
(E)-hex-2-enamide has a molecular weight of 113.16 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hex-2-enamide is sourced from PubChem (CID 6505436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).