ethane;(E)-N-methylhex-4-enamide

C9H19NO — CID 178010594

IUPACethane;(E)-N-methylhex-4-enamide
SMILESC/C=C/CCC(=O)NC.CC
InChIInChI=1S/C7H13NO.C2H6/c1-3-4-5-6-7(9)8-2;1-2/h3-4H,5-6H2,1-2H3,(H,8,9);1-2H3/b4-3+;
InChIKeyXCCNJSVGAOUELR-BJILWQEISA-N
MW157.26 g/mol
LogP2.11
Rot. Bonds3

About ethane;(E)-N-methylhex-4-enamide

ethane;(E)-N-methylhex-4-enamide (PubChem CID 178010594) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is ethane;(E)-N-methylhex-4-enamide.

Molecular Properties

Compound Nameethane;(E)-N-methylhex-4-enamide
PubChem CID178010594
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nameethane;(E)-N-methylhex-4-enamide
SMILESC/C=C/CCC(=O)NC.CC
InChIInChI=1S/C7H13NO.C2H6/c1-3-4-5-6-7(9)8-2;1-2/h3-4H,5-6H2,1-2H3,(H,8,9);1-2H3/b4-3+;
InChIKeyXCCNJSVGAOUELR-BJILWQEISA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-methyldec-4-enamide
CID 151338477
N-methyloct-4-en-7-ynamide
CID 175936352
N,N'-dimethylheptanediamide
CID 15166696
(E)-10-(methylamino)-10-oxodec-4-enoic acid
CID 101108631
3-bromo-N-methylpropanamide
CID 23033748
ethane;(E)-N,3,4-trimethyloct-6-enamide
CID 144600492
5-bromo-N-methylpentanamide
CID 19971018
hex-4-enethioic S-acid
CID 91532049
(Z)-N-methyl-4-methylidenehept-5-enamide
CID 142368118
ethane;N-methyltetradecanamide
CID 153349961
N-methyl-18-oxooctadecanamide
CID 145081820
2-chloro-N-[(E)-pent-3-enyl]acetamide
CID 115879893

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-N-methylhex-4-enamide?
The IUPAC name of ethane;(E)-N-methylhex-4-enamide (CID 178010594) is ethane;(E)-N-methylhex-4-enamide.
What is the SMILES notation for ethane;(E)-N-methylhex-4-enamide?
The canonical SMILES for ethane;(E)-N-methylhex-4-enamide is C/C=C/CCC(=O)NC.CC.
What is the InChIKey of ethane;(E)-N-methylhex-4-enamide?
The InChIKey is XCCNJSVGAOUELR-BJILWQEISA-N. The full InChI is InChI=1S/C7H13NO.C2H6/c1-3-4-5-6-7(9)8-2;1-2/h3-4H,5-6H2,1-2H3,(H,8,9);1-2H3/b4-3+;.
What are the key properties of ethane;(E)-N-methylhex-4-enamide?
ethane;(E)-N-methylhex-4-enamide has a molecular weight of 157.26 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N-methylhex-4-enamide is sourced from PubChem (CID 178010594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).