N-[(E)-hept-1-enyl]acetamide

C9H17NO — CID 23201916

IUPACN-[(E)-hept-1-enyl]acetamide
SMILESCCCCC/C=C/NC(C)=O
InChIInChI=1S/C9H17NO/c1-3-4-5-6-7-8-10-9(2)11/h7-8H,3-6H2,1-2H3,(H,10,11)/b8-7+
InChIKeyNCFBYUXQJBODDN-BQYQJAHWSA-N
MW155.24 g/mol
LogP2.22
Rot. Bonds5

About N-[(E)-hept-1-enyl]acetamide

N-[(E)-hept-1-enyl]acetamide (PubChem CID 23201916) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-[(E)-hept-1-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-hept-1-enyl]acetamide
PubChem CID23201916
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-[(E)-hept-1-enyl]acetamide
SMILESCCCCC/C=C/NC(C)=O
InChIInChI=1S/C9H17NO/c1-3-4-5-6-7-8-10-9(2)11/h7-8H,3-6H2,1-2H3,(H,10,11)/b8-7+
InChIKeyNCFBYUXQJBODDN-BQYQJAHWSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-hept-1-enyl]acetamide?
The IUPAC name of N-[(E)-hept-1-enyl]acetamide (CID 23201916) is N-[(E)-hept-1-enyl]acetamide.
What is the SMILES notation for N-[(E)-hept-1-enyl]acetamide?
The canonical SMILES for N-[(E)-hept-1-enyl]acetamide is CCCCC/C=C/NC(C)=O.
What is the InChIKey of N-[(E)-hept-1-enyl]acetamide?
The InChIKey is NCFBYUXQJBODDN-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-4-5-6-7-8-10-9(2)11/h7-8H,3-6H2,1-2H3,(H,10,11)/b8-7+.
What are the key properties of N-[(E)-hept-1-enyl]acetamide?
N-[(E)-hept-1-enyl]acetamide has a molecular weight of 155.24 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hept-1-enyl]acetamide is sourced from PubChem (CID 23201916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).