N-ethyl-N-[(2S)-3-hydroxyhex-5-en-2-yl]acetamide

C10H19NO2 — CID 59963017

IUPACN-ethyl-N-[(2S)-3-hydroxyhex-5-en-2-yl]acetamide
SMILESC=CCC(O)[C@H](C)N(CC)C(C)=O
InChIInChI=1S/C10H19NO2/c1-5-7-10(13)8(3)11(6-2)9(4)12/h5,8,10,13H,1,6-7H2,2-4H3/t8-,10?/m0/s1
InChIKeyWHSWDXMFTTWNBJ-PEHGTWAWSA-N
MW185.27 g/mol
LogP1.18
Rot. Bonds5

About N-ethyl-N-[(2S)-3-hydroxyhex-5-en-2-yl]acetamide

N-ethyl-N-[(2S)-3-hydroxyhex-5-en-2-yl]acetamide (PubChem CID 59963017) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-ethyl-N-[(2S)-3-hydroxyhex-5-en-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(2S)-3-hydroxyhex-5-en-2-yl]acetamide
PubChem CID59963017
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-ethyl-N-[(2S)-3-hydroxyhex-5-en-2-yl]acetamide
SMILESC=CCC(O)[C@H](C)N(CC)C(C)=O
InChIInChI=1S/C10H19NO2/c1-5-7-10(13)8(3)11(6-2)9(4)12/h5,8,10,13H,1,6-7H2,2-4H3/t8-,10?/m0/s1
InChIKeyWHSWDXMFTTWNBJ-PEHGTWAWSA-N
XLogP1.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S,3R)-2-ethenyl-3-hydroxypiperidin-1-yl]ethanone
CID 15415520
diiodovanadium;N-(3-hydroxyhex-5-en-2-yl)-N-(sulfanylmethoxymethyl)acetamide
CID 161847231
(2S,3S)-2-(dimethylamino)hex-5-en-3-ol
CID 10654323
N-ethyl-N-(3-hydroxyhex-5-en-2-yl)acetamide
CID 20671404
[(2R,3s)-3-hydroxy-5-hexen-2-yl](2-methyl-2-propanyl)carbamic acid
CID 45092232
[(2R,3r)-3-hydroxy-5-hexen-2-yl](2-methyl-2-propanyl)carbamic acid
CID 45092233
N-[(E,2S,3R)-3-hydroxydec-5-en-2-yl]acetamide
CID 54753229
N-(2-hydroxypropyl)-N-methylpent-4-enamide
CID 62677409
N-(2-hydroxyethyl)-N-propan-2-ylbut-3-enamide
CID 62678173
N-(2-hydroxyethyl)-N-propan-2-ylpent-4-enamide
CID 62678349
N-(2-hydroxyethyl)-N-pentan-3-ylbut-3-enamide
CID 62680066
N-(2-hydroxyethyl)-N-pentan-3-ylpent-4-enamide
CID 62680067

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2S)-3-hydroxyhex-5-en-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[(2S)-3-hydroxyhex-5-en-2-yl]acetamide (CID 59963017) is N-ethyl-N-[(2S)-3-hydroxyhex-5-en-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[(2S)-3-hydroxyhex-5-en-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[(2S)-3-hydroxyhex-5-en-2-yl]acetamide is C=CCC(O)[C@H](C)N(CC)C(C)=O.
What is the InChIKey of N-ethyl-N-[(2S)-3-hydroxyhex-5-en-2-yl]acetamide?
The InChIKey is WHSWDXMFTTWNBJ-PEHGTWAWSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-7-10(13)8(3)11(6-2)9(4)12/h5,8,10,13H,1,6-7H2,2-4H3/t8-,10?/m0/s1.
What are the key properties of N-ethyl-N-[(2S)-3-hydroxyhex-5-en-2-yl]acetamide?
N-ethyl-N-[(2S)-3-hydroxyhex-5-en-2-yl]acetamide has a molecular weight of 185.27 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2S)-3-hydroxyhex-5-en-2-yl]acetamide is sourced from PubChem (CID 59963017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).