N-hexa-1,5-dien-2-yl-N-propylacetamide

C11H19NO — CID 154931819

IUPACN-hexa-1,5-dien-2-yl-N-propylacetamide
SMILESC=CCCC(=C)N(CCC)C(C)=O
InChIInChI=1S/C11H19NO/c1-5-7-8-10(3)12(9-6-2)11(4)13/h5H,1,3,6-9H2,2,4H3
InChIKeyMHPXNNBCMITDBT-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.72
Rot. Bonds6

About N-hexa-1,5-dien-2-yl-N-propylacetamide

N-hexa-1,5-dien-2-yl-N-propylacetamide (PubChem CID 154931819) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-hexa-1,5-dien-2-yl-N-propylacetamide.

Molecular Properties

Compound NameN-hexa-1,5-dien-2-yl-N-propylacetamide
PubChem CID154931819
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-hexa-1,5-dien-2-yl-N-propylacetamide
SMILESC=CCCC(=C)N(CCC)C(C)=O
InChIInChI=1S/C11H19NO/c1-5-7-8-10(3)12(9-6-2)11(4)13/h5H,1,3,6-9H2,2,4H3
InChIKeyMHPXNNBCMITDBT-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexa-1,5-dien-2-yl-N-propylacetamide?
The IUPAC name of N-hexa-1,5-dien-2-yl-N-propylacetamide (CID 154931819) is N-hexa-1,5-dien-2-yl-N-propylacetamide.
What is the SMILES notation for N-hexa-1,5-dien-2-yl-N-propylacetamide?
The canonical SMILES for N-hexa-1,5-dien-2-yl-N-propylacetamide is C=CCCC(=C)N(CCC)C(C)=O.
What is the InChIKey of N-hexa-1,5-dien-2-yl-N-propylacetamide?
The InChIKey is MHPXNNBCMITDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-7-8-10(3)12(9-6-2)11(4)13/h5H,1,3,6-9H2,2,4H3.
What are the key properties of N-hexa-1,5-dien-2-yl-N-propylacetamide?
N-hexa-1,5-dien-2-yl-N-propylacetamide has a molecular weight of 181.28 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexa-1,5-dien-2-yl-N-propylacetamide is sourced from PubChem (CID 154931819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).