N-[(E)-2-methylidenehex-4-enyl]acetamide

C9H15NO — CID 10374642

IUPACN-[(E)-2-methylidenehex-4-enyl]acetamide
SMILESC=C(C/C=C/C)CNC(C)=O
InChIInChI=1S/C9H15NO/c1-4-5-6-8(2)7-10-9(3)11/h4-5H,2,6-7H2,1,3H3,(H,10,11)/b5-4+
InChIKeyXCWQTRJOXVSDTF-SNAWJCMRSA-N
MW153.22 g/mol
LogP1.64
Rot. Bonds4

About N-[(E)-2-methylidenehex-4-enyl]acetamide

N-[(E)-2-methylidenehex-4-enyl]acetamide (PubChem CID 10374642) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-[(E)-2-methylidenehex-4-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-2-methylidenehex-4-enyl]acetamide
PubChem CID10374642
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-[(E)-2-methylidenehex-4-enyl]acetamide
SMILESC=C(C/C=C/C)CNC(C)=O
InChIInChI=1S/C9H15NO/c1-4-5-6-8(2)7-10-9(3)11/h4-5H,2,6-7H2,1,3H3,(H,10,11)/b5-4+
InChIKeyXCWQTRJOXVSDTF-SNAWJCMRSA-N
XLogP1.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
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-[(E)-2-methylidenehex-4-enyl]acetamide?
The IUPAC name of N-[(E)-2-methylidenehex-4-enyl]acetamide (CID 10374642) is N-[(E)-2-methylidenehex-4-enyl]acetamide.
What is the SMILES notation for N-[(E)-2-methylidenehex-4-enyl]acetamide?
The canonical SMILES for N-[(E)-2-methylidenehex-4-enyl]acetamide is C=C(C/C=C/C)CNC(C)=O.
What is the InChIKey of N-[(E)-2-methylidenehex-4-enyl]acetamide?
The InChIKey is XCWQTRJOXVSDTF-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-5-6-8(2)7-10-9(3)11/h4-5H,2,6-7H2,1,3H3,(H,10,11)/b5-4+.
What are the key properties of N-[(E)-2-methylidenehex-4-enyl]acetamide?
N-[(E)-2-methylidenehex-4-enyl]acetamide has a molecular weight of 153.22 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-methylidenehex-4-enyl]acetamide is sourced from PubChem (CID 10374642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).