ethane;N-hex-5-enyl-N-methylacetamide

C11H23NO — CID 142892023

IUPACethane;N-hex-5-enyl-N-methylacetamide
SMILESC=CCCCCN(C)C(C)=O.CC
InChIInChI=1S/C9H17NO.C2H6/c1-4-5-6-7-8-10(3)9(2)11;1-2/h4H,1,5-8H2,2-3H3;1-2H3
InChIKeyJYBUTLPJVRBFOY-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.85
Rot. Bonds5

About ethane;N-hex-5-enyl-N-methylacetamide

ethane;N-hex-5-enyl-N-methylacetamide (PubChem CID 142892023) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;N-hex-5-enyl-N-methylacetamide.

Molecular Properties

Compound Nameethane;N-hex-5-enyl-N-methylacetamide
PubChem CID142892023
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;N-hex-5-enyl-N-methylacetamide
SMILESC=CCCCCN(C)C(C)=O.CC
InChIInChI=1S/C9H17NO.C2H6/c1-4-5-6-7-8-10(3)9(2)11;1-2/h4H,1,5-8H2,2-3H3;1-2H3
InChIKeyJYBUTLPJVRBFOY-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Pentenamide, N,N-diethyl-
CID 547369
N,N-Dibutylbut-3-enamide
CID 15984652
6-Heptenamide, N,N-diethyl-
CID 10726145
5-Hexenamide, N,N-diethyl-
CID 12249872
N,N-Diethylbut-3-enamide
CID 12545744
1-(Piperidin-1-yl)hex-5-en-1-one
CID 13839438
1-[2-(Prop-2-en-1-yl)pyrrolidin-1-yl]ethan-1-one
CID 71426690
N,N-diisopropylpent-4-enamide
CID 86248502
1-(Pyrrolidin-1-yl)hex-5-en-1-one
CID 168267356
2,2,2-Trifluoro-N-(hex-5-EN-1-YL)-N-methylacetamide
CID 57578759
2-fluoro-N-hex-5-enyl-N-methylacetamide
CID 88849060
N,N-di(propan-2-yl)hex-5-enamide
CID 85630997

Frequently Asked Questions

What is the IUPAC name of ethane;N-hex-5-enyl-N-methylacetamide?
The IUPAC name of ethane;N-hex-5-enyl-N-methylacetamide (CID 142892023) is ethane;N-hex-5-enyl-N-methylacetamide.
What is the SMILES notation for ethane;N-hex-5-enyl-N-methylacetamide?
The canonical SMILES for ethane;N-hex-5-enyl-N-methylacetamide is C=CCCCCN(C)C(C)=O.CC.
What is the InChIKey of ethane;N-hex-5-enyl-N-methylacetamide?
The InChIKey is JYBUTLPJVRBFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-4-5-6-7-8-10(3)9(2)11;1-2/h4H,1,5-8H2,2-3H3;1-2H3.
What are the key properties of ethane;N-hex-5-enyl-N-methylacetamide?
ethane;N-hex-5-enyl-N-methylacetamide has a molecular weight of 185.31 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-hex-5-enyl-N-methylacetamide is sourced from PubChem (CID 142892023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).