(E)-N,3-dimethylpent-2-enamide

C7H13NO — CID 21326751

IUPAC(E)-N,3-dimethylpent-2-enamide
SMILESCC/C(C)=C/C(=O)NC
InChIInChI=1S/C7H13NO/c1-4-6(2)5-7(9)8-3/h5H,4H2,1-3H3,(H,8,9)/b6-5+
InChIKeyDXTNKKNHDRUDPB-AATRIKPKSA-N
MW127.19 g/mol
LogP1.09
Rot. Bonds2

About (E)-N,3-dimethylpent-2-enamide

(E)-N,3-dimethylpent-2-enamide (PubChem CID 21326751) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (E)-N,3-dimethylpent-2-enamide.

Molecular Properties

Compound Name(E)-N,3-dimethylpent-2-enamide
PubChem CID21326751
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(E)-N,3-dimethylpent-2-enamide
SMILESCC/C(C)=C/C(=O)NC
InChIInChI=1S/C7H13NO/c1-4-6(2)5-7(9)8-3/h5H,4H2,1-3H3,(H,8,9)/b6-5+
InChIKeyDXTNKKNHDRUDPB-AATRIKPKSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.09
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)-N,3-dimethylpent-2-enamide?
The IUPAC name of (E)-N,3-dimethylpent-2-enamide (CID 21326751) is (E)-N,3-dimethylpent-2-enamide.
What is the SMILES notation for (E)-N,3-dimethylpent-2-enamide?
The canonical SMILES for (E)-N,3-dimethylpent-2-enamide is CC/C(C)=C/C(=O)NC.
What is the InChIKey of (E)-N,3-dimethylpent-2-enamide?
The InChIKey is DXTNKKNHDRUDPB-AATRIKPKSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-6(2)5-7(9)8-3/h5H,4H2,1-3H3,(H,8,9)/b6-5+.
What are the key properties of (E)-N,3-dimethylpent-2-enamide?
(E)-N,3-dimethylpent-2-enamide has a molecular weight of 127.19 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3-dimethylpent-2-enamide is sourced from PubChem (CID 21326751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).