N-[(4Z)-2-methylhexa-2,4-dien-3-yl]acetamide

C9H15NO — CID 58012405

IUPACN-[(4Z)-2-methylhexa-2,4-dien-3-yl]acetamide
SMILESC/C=C\C(NC(C)=O)=C(C)C
InChIInChI=1S/C9H15NO/c1-5-6-9(7(2)3)10-8(4)11/h5-6H,1-4H3,(H,10,11)/b6-5-
InChIKeyGEUGBOLZNLTORK-WAYWQWQTSA-N
MW153.22 g/mol
LogP1.99
Rot. Bonds2

About N-[(4Z)-2-methylhexa-2,4-dien-3-yl]acetamide

N-[(4Z)-2-methylhexa-2,4-dien-3-yl]acetamide (PubChem CID 58012405) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-[(4Z)-2-methylhexa-2,4-dien-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4Z)-2-methylhexa-2,4-dien-3-yl]acetamide
PubChem CID58012405
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-[(4Z)-2-methylhexa-2,4-dien-3-yl]acetamide
SMILESC/C=C\C(NC(C)=O)=C(C)C
InChIInChI=1S/C9H15NO/c1-5-6-9(7(2)3)10-8(4)11/h5-6H,1-4H3,(H,10,11)/b6-5-
InChIKeyGEUGBOLZNLTORK-WAYWQWQTSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.99
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)-2-methylhexa-2,4-dien-3-yl]acetamide?
The IUPAC name of N-[(4Z)-2-methylhexa-2,4-dien-3-yl]acetamide (CID 58012405) is N-[(4Z)-2-methylhexa-2,4-dien-3-yl]acetamide.
What is the SMILES notation for N-[(4Z)-2-methylhexa-2,4-dien-3-yl]acetamide?
The canonical SMILES for N-[(4Z)-2-methylhexa-2,4-dien-3-yl]acetamide is C/C=C\C(NC(C)=O)=C(C)C.
What is the InChIKey of N-[(4Z)-2-methylhexa-2,4-dien-3-yl]acetamide?
The InChIKey is GEUGBOLZNLTORK-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-6-9(7(2)3)10-8(4)11/h5-6H,1-4H3,(H,10,11)/b6-5-.
What are the key properties of N-[(4Z)-2-methylhexa-2,4-dien-3-yl]acetamide?
N-[(4Z)-2-methylhexa-2,4-dien-3-yl]acetamide has a molecular weight of 153.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-2-methylhexa-2,4-dien-3-yl]acetamide is sourced from PubChem (CID 58012405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).