N-[(4Z,6Z)-nona-1,4,6,8-tetraen-2-yl]acetamide

C11H15NO — CID 166717845

IUPACN-[(4Z,6Z)-nona-1,4,6,8-tetraen-2-yl]acetamide
SMILESC=C/C=C\C=C/CC(=C)NC(C)=O
InChIInChI=1S/C11H15NO/c1-4-5-6-7-8-9-10(2)12-11(3)13/h4-8H,1-2,9H2,3H3,(H,12,13)/b6-5-,8-7-
InChIKeyLPNOKEZFJCCQMZ-ISTTXYCBSA-N
MW177.25 g/mol
LogP2.32
Rot. Bonds5

About N-[(4Z,6Z)-nona-1,4,6,8-tetraen-2-yl]acetamide

N-[(4Z,6Z)-nona-1,4,6,8-tetraen-2-yl]acetamide (PubChem CID 166717845) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[(4Z,6Z)-nona-1,4,6,8-tetraen-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4Z,6Z)-nona-1,4,6,8-tetraen-2-yl]acetamide
PubChem CID166717845
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-[(4Z,6Z)-nona-1,4,6,8-tetraen-2-yl]acetamide
SMILESC=C/C=C\C=C/CC(=C)NC(C)=O
InChIInChI=1S/C11H15NO/c1-4-5-6-7-8-9-10(2)12-11(3)13/h4-8H,1-2,9H2,3H3,(H,12,13)/b6-5-,8-7-
InChIKeyLPNOKEZFJCCQMZ-ISTTXYCBSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
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-[(4Z,6Z)-nona-1,4,6,8-tetraen-2-yl]acetamide?
The IUPAC name of N-[(4Z,6Z)-nona-1,4,6,8-tetraen-2-yl]acetamide (CID 166717845) is N-[(4Z,6Z)-nona-1,4,6,8-tetraen-2-yl]acetamide.
What is the SMILES notation for N-[(4Z,6Z)-nona-1,4,6,8-tetraen-2-yl]acetamide?
The canonical SMILES for N-[(4Z,6Z)-nona-1,4,6,8-tetraen-2-yl]acetamide is C=C/C=C\C=C/CC(=C)NC(C)=O.
What is the InChIKey of N-[(4Z,6Z)-nona-1,4,6,8-tetraen-2-yl]acetamide?
The InChIKey is LPNOKEZFJCCQMZ-ISTTXYCBSA-N. The full InChI is InChI=1S/C11H15NO/c1-4-5-6-7-8-9-10(2)12-11(3)13/h4-8H,1-2,9H2,3H3,(H,12,13)/b6-5-,8-7-.
What are the key properties of N-[(4Z,6Z)-nona-1,4,6,8-tetraen-2-yl]acetamide?
N-[(4Z,6Z)-nona-1,4,6,8-tetraen-2-yl]acetamide has a molecular weight of 177.25 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z,6Z)-nona-1,4,6,8-tetraen-2-yl]acetamide is sourced from PubChem (CID 166717845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).