2-methylpent-2-enamide

C6H11NO — CID 66895957

IUPAC2-methylpent-2-enamide
SMILESCCC=C(C)C(N)=O
InChIInChI=1S/C6H11NO/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H2,7,8)
InChIKeyPGTISPYIJZXZSE-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.83
Rot. Bonds2

About 2-methylpent-2-enamide

2-methylpent-2-enamide (PubChem CID 66895957) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-methylpent-2-enamide.

Molecular Properties

Compound Name2-methylpent-2-enamide
PubChem CID66895957
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-methylpent-2-enamide
SMILESCCC=C(C)C(N)=O
InChIInChI=1S/C6H11NO/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H2,7,8)
InChIKeyPGTISPYIJZXZSE-UHFFFAOYSA-N
XLogP0.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

(2E)-2-methylbut-2-enamide
CID 6367959
cis-2-Pentenoic acid amide
CID 6432143
Methylmethacrylamide
CID 315394
Angelic acid amide
CID 5784553
2-Pentenamide, (2E)-
CID 5973527
(E)-hex-2-enamide
CID 6505436
cis-2-Hexenoic acid amide
CID 5463548
pentenamid-Konzentrationen
CID 139986
4-Methylpent-2-enamide
CID 274613
Cyclohexa-1,4-diene-1-carboxamide
CID 13438613
Diethylmethacrylamide
CID 21954359
Diethylacrylamide
CID 24840945

Frequently Asked Questions

What is the IUPAC name of 2-methylpent-2-enamide?
The IUPAC name of 2-methylpent-2-enamide (CID 66895957) is 2-methylpent-2-enamide.
What is the SMILES notation for 2-methylpent-2-enamide?
The canonical SMILES for 2-methylpent-2-enamide is CCC=C(C)C(N)=O.
What is the InChIKey of 2-methylpent-2-enamide?
The InChIKey is PGTISPYIJZXZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H2,7,8).
What are the key properties of 2-methylpent-2-enamide?
2-methylpent-2-enamide has a molecular weight of 113.16 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpent-2-enamide is sourced from PubChem (CID 66895957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).