N-buta-1,3-dienyl-N-propylacetamide

C9H15NO — CID 85412264

IUPACN-buta-1,3-dienyl-N-propylacetamide
SMILESC=CC=CN(CCC)C(C)=O
InChIInChI=1S/C9H15NO/c1-4-6-8-10(7-5-2)9(3)11/h4,6,8H,1,5,7H2,2-3H3
InChIKeyDEENMSHTVOBFTM-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.94
Rot. Bonds4

About N-buta-1,3-dienyl-N-propylacetamide

N-buta-1,3-dienyl-N-propylacetamide (PubChem CID 85412264) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-buta-1,3-dienyl-N-propylacetamide.

Molecular Properties

Compound NameN-buta-1,3-dienyl-N-propylacetamide
PubChem CID85412264
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-buta-1,3-dienyl-N-propylacetamide
SMILESC=CC=CN(CCC)C(C)=O
InChIInChI=1S/C9H15NO/c1-4-6-8-10(7-5-2)9(3)11/h4,6,8H,1,5,7H2,2-3H3
InChIKeyDEENMSHTVOBFTM-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-buta-1,3-dienyl-N-propylacetamide?
The IUPAC name of N-buta-1,3-dienyl-N-propylacetamide (CID 85412264) is N-buta-1,3-dienyl-N-propylacetamide.
What is the SMILES notation for N-buta-1,3-dienyl-N-propylacetamide?
The canonical SMILES for N-buta-1,3-dienyl-N-propylacetamide is C=CC=CN(CCC)C(C)=O.
What is the InChIKey of N-buta-1,3-dienyl-N-propylacetamide?
The InChIKey is DEENMSHTVOBFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-6-8-10(7-5-2)9(3)11/h4,6,8H,1,5,7H2,2-3H3.
What are the key properties of N-buta-1,3-dienyl-N-propylacetamide?
N-buta-1,3-dienyl-N-propylacetamide has a molecular weight of 153.22 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-1,3-dienyl-N-propylacetamide is sourced from PubChem (CID 85412264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).