2-deuteriopent-4-enamide

C5H9NO — CID 175922365

IUPAC2-deuteriopent-4-enamide
SMILES[2H]C(CC=C)C(N)=O
InChIInChI=1S/C5H9NO/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H2,6,7)/i4D
InChIKeyDVFGVGYKHMQZJC-QYKNYGDISA-N
MW100.14 g/mol
LogP0.44
Rot. Bonds3

About 2-deuteriopent-4-enamide

2-deuteriopent-4-enamide (PubChem CID 175922365) has the molecular formula C5H9NO and a molecular weight of 100.14 g/mol. Its IUPAC name is 2-deuteriopent-4-enamide.

Molecular Properties

Compound Name2-deuteriopent-4-enamide
PubChem CID175922365
Molecular FormulaC5H9NO
Molecular Weight100.14 g/mol
Exact Mass100.07
IUPAC Name2-deuteriopent-4-enamide
SMILES[2H]C(CC=C)C(N)=O
InChIInChI=1S/C5H9NO/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H2,6,7)/i4D
InChIKeyDVFGVGYKHMQZJC-QYKNYGDISA-N
XLogP0.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Pent-4-enamide
CID 11815293
3-Butenamide
CID 541483
3-Methylpent-4-enamide
CID 13110692
(E)-oct-4-enamide
CID 11378544
5-Hexenamide
CID 10080368
Hept-6-enamide
CID 17824890
Oct-4-enamide
CID 53432400
2-Ethylbut-3-enamide
CID 57248287
Hex-4-enamide
CID 54203128
(E)-hex-4-enamide
CID 10909533
N-phosphanylpent-4-enamide
CID 164680858
CID 102587061
CID 102587061

Frequently Asked Questions

What is the IUPAC name of 2-deuteriopent-4-enamide?
The IUPAC name of 2-deuteriopent-4-enamide (CID 175922365) is 2-deuteriopent-4-enamide.
What is the SMILES notation for 2-deuteriopent-4-enamide?
The canonical SMILES for 2-deuteriopent-4-enamide is [2H]C(CC=C)C(N)=O.
What is the InChIKey of 2-deuteriopent-4-enamide?
The InChIKey is DVFGVGYKHMQZJC-QYKNYGDISA-N. The full InChI is InChI=1S/C5H9NO/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H2,6,7)/i4D.
What are the key properties of 2-deuteriopent-4-enamide?
2-deuteriopent-4-enamide has a molecular weight of 100.14 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuteriopent-4-enamide is sourced from PubChem (CID 175922365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).