N-ethyl-3-methylidenepent-4-enamide

C8H13NO — CID 123381195

IUPACN-ethyl-3-methylidenepent-4-enamide
SMILESC=CC(=C)CC(=O)NCC
InChIInChI=1S/C8H13NO/c1-4-7(3)6-8(10)9-5-2/h4H,1,3,5-6H2,2H3,(H,9,10)
InChIKeyGVWRJLPLQKPZDU-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.25
Rot. Bonds4

About N-ethyl-3-methylidenepent-4-enamide

N-ethyl-3-methylidenepent-4-enamide (PubChem CID 123381195) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-ethyl-3-methylidenepent-4-enamide.

Molecular Properties

Compound NameN-ethyl-3-methylidenepent-4-enamide
PubChem CID123381195
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-ethyl-3-methylidenepent-4-enamide
SMILESC=CC(=C)CC(=O)NCC
InChIInChI=1S/C8H13NO/c1-4-7(3)6-8(10)9-5-2/h4H,1,3,5-6H2,2H3,(H,9,10)
InChIKeyGVWRJLPLQKPZDU-UHFFFAOYSA-N
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylprop-2-enyl)butanamide
CID 114618786
N-pent-4-enylacetamide
CID 12444169
N-(Prop-2-en-1-yl)pent-4-enamide
CID 13128362
N-(2-methylpropyl)deca-4,5-dienamide
CID 189490
N-butyl-2-methylpent-4-enamide
CID 86208811
(Acetamidomethyl)cyclopentadiene
CID 13311389
Methacrylamidoethyl ethylene
CID 17774237
N-propylpent-4-enamide
CID 17805708
N-propan-2-ylpent-4-enamide
CID 53840513
3-methyl-N-prop-2-enylpent-4-enamide
CID 134872335
2-ethyl-N-(2,2,2-trifluoroethyl)but-3-enamide
CID 91227509
(2S)-2-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide
CID 138550312

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylidenepent-4-enamide?
The IUPAC name of N-ethyl-3-methylidenepent-4-enamide (CID 123381195) is N-ethyl-3-methylidenepent-4-enamide.
What is the SMILES notation for N-ethyl-3-methylidenepent-4-enamide?
The canonical SMILES for N-ethyl-3-methylidenepent-4-enamide is C=CC(=C)CC(=O)NCC.
What is the InChIKey of N-ethyl-3-methylidenepent-4-enamide?
The InChIKey is GVWRJLPLQKPZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-7(3)6-8(10)9-5-2/h4H,1,3,5-6H2,2H3,(H,9,10).
What are the key properties of N-ethyl-3-methylidenepent-4-enamide?
N-ethyl-3-methylidenepent-4-enamide has a molecular weight of 139.20 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylidenepent-4-enamide is sourced from PubChem (CID 123381195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).