N-[(3S,4E)-4-ethenyl-1-hydroxyhepta-4,6-dien-3-yl]acetamide

C11H17NO2 — CID 142183456

IUPACN-[(3S,4E)-4-ethenyl-1-hydroxyhepta-4,6-dien-3-yl]acetamide
SMILESC=C/C=C(\C=C)[C@H](CCO)NC(C)=O
InChIInChI=1S/C11H17NO2/c1-4-6-10(5-2)11(7-8-13)12-9(3)14/h4-6,11,13H,1-2,7-8H2,3H3,(H,12,14)/b10-6+/t11-/m0/s1
InChIKeyVNZHXUHXJDCGOF-RUYJGKKWSA-N
MW195.26 g/mol
LogP1.17
Rot. Bonds6

About N-[(3S,4E)-4-ethenyl-1-hydroxyhepta-4,6-dien-3-yl]acetamide

N-[(3S,4E)-4-ethenyl-1-hydroxyhepta-4,6-dien-3-yl]acetamide (PubChem CID 142183456) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-[(3S,4E)-4-ethenyl-1-hydroxyhepta-4,6-dien-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4E)-4-ethenyl-1-hydroxyhepta-4,6-dien-3-yl]acetamide
PubChem CID142183456
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-[(3S,4E)-4-ethenyl-1-hydroxyhepta-4,6-dien-3-yl]acetamide
SMILESC=C/C=C(\C=C)[C@H](CCO)NC(C)=O
InChIInChI=1S/C11H17NO2/c1-4-6-10(5-2)11(7-8-13)12-9(3)14/h4-6,11,13H,1-2,7-8H2,3H3,(H,12,14)/b10-6+/t11-/m0/s1
InChIKeyVNZHXUHXJDCGOF-RUYJGKKWSA-N
XLogP1.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R,3E)-3-ethenyl-1-hydroxyhexa-3,5-dien-2-yl]carbamoyl iodide
CID 142080079
propan-2-yl (2S)-2-acetamido-4-hydroxybutanoate
CID 87894989
(3R,4E)-4-ethenyl-3-methylhepta-4,6-dienoic acid
CID 145439672
ethane;(3E)-3-ethenylhexa-3,5-diene-1,2-diol
CID 145139860
N-(4-hydroxybutan-2-yl)acetamide
CID 20609978
(3E)-3-ethenyl-2-N-methylhexa-3,5-diene-1,2-diamine
CID 143109843
(2R)-2-acetamido-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid
CID 46780019
(2S)-2-acetamido-3-[(2S)-4-hydroxybutan-2-yl]sulfanylpropanoic acid
CID 40642498
N-(1-acetamidobut-3-enyl)acetamide
CID 88635946
(2S,3E)-3-ethenyl-N,2-dimethylhexa-3,5-dien-1-amine
CID 154678805
N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide
CID 90242919
N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide
CID 177208233

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4E)-4-ethenyl-1-hydroxyhepta-4,6-dien-3-yl]acetamide?
The IUPAC name of N-[(3S,4E)-4-ethenyl-1-hydroxyhepta-4,6-dien-3-yl]acetamide (CID 142183456) is N-[(3S,4E)-4-ethenyl-1-hydroxyhepta-4,6-dien-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4E)-4-ethenyl-1-hydroxyhepta-4,6-dien-3-yl]acetamide?
The canonical SMILES for N-[(3S,4E)-4-ethenyl-1-hydroxyhepta-4,6-dien-3-yl]acetamide is C=C/C=C(\C=C)[C@H](CCO)NC(C)=O.
What is the InChIKey of N-[(3S,4E)-4-ethenyl-1-hydroxyhepta-4,6-dien-3-yl]acetamide?
The InChIKey is VNZHXUHXJDCGOF-RUYJGKKWSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-6-10(5-2)11(7-8-13)12-9(3)14/h4-6,11,13H,1-2,7-8H2,3H3,(H,12,14)/b10-6+/t11-/m0/s1.
What are the key properties of N-[(3S,4E)-4-ethenyl-1-hydroxyhepta-4,6-dien-3-yl]acetamide?
N-[(3S,4E)-4-ethenyl-1-hydroxyhepta-4,6-dien-3-yl]acetamide has a molecular weight of 195.26 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4E)-4-ethenyl-1-hydroxyhepta-4,6-dien-3-yl]acetamide is sourced from PubChem (CID 142183456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).