N-penta-1,3-dien-2-yl-N-propan-2-ylacetamide

C10H17NO — CID 123539685

IUPACN-penta-1,3-dien-2-yl-N-propan-2-ylacetamide
SMILESC=C(C=CC)N(C(C)=O)C(C)C
InChIInChI=1S/C10H17NO/c1-6-7-9(4)11(8(2)3)10(5)12/h6-8H,4H2,1-3,5H3
InChIKeyINFRFRWHECKUFF-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.33
Rot. Bonds3

About N-penta-1,3-dien-2-yl-N-propan-2-ylacetamide

N-penta-1,3-dien-2-yl-N-propan-2-ylacetamide (PubChem CID 123539685) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-penta-1,3-dien-2-yl-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-penta-1,3-dien-2-yl-N-propan-2-ylacetamide
PubChem CID123539685
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-penta-1,3-dien-2-yl-N-propan-2-ylacetamide
SMILESC=C(C=CC)N(C(C)=O)C(C)C
InChIInChI=1S/C10H17NO/c1-6-7-9(4)11(8(2)3)10(5)12/h6-8H,4H2,1-3,5H3
InChIKeyINFRFRWHECKUFF-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 311927
N-[(1E)-buta-1,3-dienyl]-N-propan-2-ylpropanamide
CID 10877509
N-[(1E)-buta-1,3-dienyl]-N-propan-2-ylacetamide
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N-[(E)-2,4-pentadienyl]-N-(2-propenyl)-acetamide
CID 12260271
N-penta-2,4-dienyl-N-prop-2-enylacetamide
CID 54405580
6-Methyl-1-propan-2-ylpyridin-2-one
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CID 59163584

Frequently Asked Questions

What is the IUPAC name of N-penta-1,3-dien-2-yl-N-propan-2-ylacetamide?
The IUPAC name of N-penta-1,3-dien-2-yl-N-propan-2-ylacetamide (CID 123539685) is N-penta-1,3-dien-2-yl-N-propan-2-ylacetamide.
What is the SMILES notation for N-penta-1,3-dien-2-yl-N-propan-2-ylacetamide?
The canonical SMILES for N-penta-1,3-dien-2-yl-N-propan-2-ylacetamide is C=C(C=CC)N(C(C)=O)C(C)C.
What is the InChIKey of N-penta-1,3-dien-2-yl-N-propan-2-ylacetamide?
The InChIKey is INFRFRWHECKUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-6-7-9(4)11(8(2)3)10(5)12/h6-8H,4H2,1-3,5H3.
What are the key properties of N-penta-1,3-dien-2-yl-N-propan-2-ylacetamide?
N-penta-1,3-dien-2-yl-N-propan-2-ylacetamide has a molecular weight of 167.25 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-penta-1,3-dien-2-yl-N-propan-2-ylacetamide is sourced from PubChem (CID 123539685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).