N-but-3-ynylpent-4-enamide

C9H13NO — CID 56765704

IUPACN-but-3-ynylpent-4-enamide
SMILESC#CCCNC(=O)CCC=C
InChIInChI=1S/C9H13NO/c1-3-5-7-9(11)10-8-6-4-2/h2-3H,1,5-8H2,(H,10,11)
InChIKeySVFKATVYEIQTKV-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.09
Rot. Bonds5

About N-but-3-ynylpent-4-enamide

N-but-3-ynylpent-4-enamide (PubChem CID 56765704) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-but-3-ynylpent-4-enamide.

Molecular Properties

Compound NameN-but-3-ynylpent-4-enamide
PubChem CID56765704
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-but-3-ynylpent-4-enamide
SMILESC#CCCNC(=O)CCC=C
InChIInChI=1S/C9H13NO/c1-3-5-7-9(11)10-8-6-4-2/h2-3H,1,5-8H2,(H,10,11)
InChIKeySVFKATVYEIQTKV-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-ynylpent-4-enamide?
The IUPAC name of N-but-3-ynylpent-4-enamide (CID 56765704) is N-but-3-ynylpent-4-enamide.
What is the SMILES notation for N-but-3-ynylpent-4-enamide?
The canonical SMILES for N-but-3-ynylpent-4-enamide is C#CCCNC(=O)CCC=C.
What is the InChIKey of N-but-3-ynylpent-4-enamide?
The InChIKey is SVFKATVYEIQTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-5-7-9(11)10-8-6-4-2/h2-3H,1,5-8H2,(H,10,11).
What are the key properties of N-but-3-ynylpent-4-enamide?
N-but-3-ynylpent-4-enamide has a molecular weight of 151.21 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynylpent-4-enamide is sourced from PubChem (CID 56765704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).