N-[(Z)-3-methylidenehex-1-enyl]acetamide

C9H15NO — CID 88864394

IUPACN-[(Z)-3-methylidenehex-1-enyl]acetamide
SMILESC=C(/C=C\NC(C)=O)CCC
InChIInChI=1S/C9H15NO/c1-4-5-8(2)6-7-10-9(3)11/h6-7H,2,4-5H2,1,3H3,(H,10,11)/b7-6-
InChIKeyIWWVFCMNZBUGKH-SREVYHEPSA-N
MW153.22 g/mol
LogP1.99
Rot. Bonds4

About N-[(Z)-3-methylidenehex-1-enyl]acetamide

N-[(Z)-3-methylidenehex-1-enyl]acetamide (PubChem CID 88864394) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-[(Z)-3-methylidenehex-1-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-3-methylidenehex-1-enyl]acetamide
PubChem CID88864394
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-[(Z)-3-methylidenehex-1-enyl]acetamide
SMILESC=C(/C=C\NC(C)=O)CCC
InChIInChI=1S/C9H15NO/c1-4-5-8(2)6-7-10-9(3)11/h6-7H,2,4-5H2,1,3H3,(H,10,11)/b7-6-
InChIKeyIWWVFCMNZBUGKH-SREVYHEPSA-N
XLogP1.99
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 ≤ 51.99
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-[(Z)-3-methylidenehex-1-enyl]acetamide?
The IUPAC name of N-[(Z)-3-methylidenehex-1-enyl]acetamide (CID 88864394) is N-[(Z)-3-methylidenehex-1-enyl]acetamide.
What is the SMILES notation for N-[(Z)-3-methylidenehex-1-enyl]acetamide?
The canonical SMILES for N-[(Z)-3-methylidenehex-1-enyl]acetamide is C=C(/C=C\NC(C)=O)CCC.
What is the InChIKey of N-[(Z)-3-methylidenehex-1-enyl]acetamide?
The InChIKey is IWWVFCMNZBUGKH-SREVYHEPSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-5-8(2)6-7-10-9(3)11/h6-7H,2,4-5H2,1,3H3,(H,10,11)/b7-6-.
What are the key properties of N-[(Z)-3-methylidenehex-1-enyl]acetamide?
N-[(Z)-3-methylidenehex-1-enyl]acetamide has a molecular weight of 153.22 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-methylidenehex-1-enyl]acetamide is sourced from PubChem (CID 88864394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).