N-prop-2-enyl-N-propoxybut-3-ynamide

C10H15NO2 — CID 134896819

IUPACN-prop-2-enyl-N-propoxybut-3-ynamide
SMILESC#CCC(=O)N(CC=C)OCCC
InChIInChI=1S/C10H15NO2/c1-4-7-10(12)11(8-5-2)13-9-6-3/h1,5H,2,6-9H2,3H3
InChIKeyWRJINJNXKLLZGI-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.37
Rot. Bonds6

About N-prop-2-enyl-N-propoxybut-3-ynamide

N-prop-2-enyl-N-propoxybut-3-ynamide (PubChem CID 134896819) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-prop-2-enyl-N-propoxybut-3-ynamide.

Molecular Properties

Compound NameN-prop-2-enyl-N-propoxybut-3-ynamide
PubChem CID134896819
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-prop-2-enyl-N-propoxybut-3-ynamide
SMILESC#CCC(=O)N(CC=C)OCCC
InChIInChI=1S/C10H15NO2/c1-4-7-10(12)11(8-5-2)13-9-6-3/h1,5H,2,6-9H2,3H3
InChIKeyWRJINJNXKLLZGI-UHFFFAOYSA-N
XLogP1.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-propoxybut-3-ynamide?
The IUPAC name of N-prop-2-enyl-N-propoxybut-3-ynamide (CID 134896819) is N-prop-2-enyl-N-propoxybut-3-ynamide.
What is the SMILES notation for N-prop-2-enyl-N-propoxybut-3-ynamide?
The canonical SMILES for N-prop-2-enyl-N-propoxybut-3-ynamide is C#CCC(=O)N(CC=C)OCCC.
What is the InChIKey of N-prop-2-enyl-N-propoxybut-3-ynamide?
The InChIKey is WRJINJNXKLLZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-7-10(12)11(8-5-2)13-9-6-3/h1,5H,2,6-9H2,3H3.
What are the key properties of N-prop-2-enyl-N-propoxybut-3-ynamide?
N-prop-2-enyl-N-propoxybut-3-ynamide has a molecular weight of 181.23 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-propoxybut-3-ynamide is sourced from PubChem (CID 134896819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).