N-[(E,2S)-hex-3-en-2-yl]acetamide

C8H15NO — CID 134947978

IUPACN-[(E,2S)-hex-3-en-2-yl]acetamide
SMILESCC/C=C/[C@H](C)NC(C)=O
InChIInChI=1S/C8H15NO/c1-4-5-6-7(2)9-8(3)10/h5-7H,4H2,1-3H3,(H,9,10)/b6-5+/t7-/m0/s1
InChIKeyGLHBYQKOEFOACZ-XPPMVYLVSA-N
MW141.21 g/mol
LogP1.48
Rot. Bonds3

About N-[(E,2S)-hex-3-en-2-yl]acetamide

N-[(E,2S)-hex-3-en-2-yl]acetamide (PubChem CID 134947978) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-[(E,2S)-hex-3-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E,2S)-hex-3-en-2-yl]acetamide
PubChem CID134947978
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-[(E,2S)-hex-3-en-2-yl]acetamide
SMILESCC/C=C/[C@H](C)NC(C)=O
InChIInChI=1S/C8H15NO/c1-4-5-6-7(2)9-8(3)10/h5-7H,4H2,1-3H3,(H,9,10)/b6-5+/t7-/m0/s1
InChIKeyGLHBYQKOEFOACZ-XPPMVYLVSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.48
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

N-[(E)-4-diethoxyphosphorylbut-3-en-2-yl]acetamide
CID 15270678
methyl 2-methylhex-3-enoate
CID 544076
(E)-3,4-dimethyloct-5-enoic acid
CID 155168739
N-[(E)-4-dimethoxyphosphorylbut-3-en-2-yl]acetamide
CID 14924309
(Z)-N-(2-methylpropyl)hex-3-en-2-amine
CID 130260557
(2Z,4R,5S,6E)-3-acetamido-4,5-dimethylnona-2,6-dienoic acid
CID 11947884
N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990
2-[(Z)-but-1-enyl]propanedioic acid
CID 139985300
N-[(E)-6-phenylhex-3-en-5-yn-2-yl]acetamide
CID 11117384
N-[(E,3S,4R)-4-methylhept-5-en-3-yl]acetamide
CID 161287310
acetic acid;(Z)-hex-3-ene
CID 87142970
(E)-3-methylhept-4-enoyl chloride
CID 19936104

Frequently Asked Questions

What is the IUPAC name of N-[(E,2S)-hex-3-en-2-yl]acetamide?
The IUPAC name of N-[(E,2S)-hex-3-en-2-yl]acetamide (CID 134947978) is N-[(E,2S)-hex-3-en-2-yl]acetamide.
What is the SMILES notation for N-[(E,2S)-hex-3-en-2-yl]acetamide?
The canonical SMILES for N-[(E,2S)-hex-3-en-2-yl]acetamide is CC/C=C/[C@H](C)NC(C)=O.
What is the InChIKey of N-[(E,2S)-hex-3-en-2-yl]acetamide?
The InChIKey is GLHBYQKOEFOACZ-XPPMVYLVSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-6-7(2)9-8(3)10/h5-7H,4H2,1-3H3,(H,9,10)/b6-5+/t7-/m0/s1.
What are the key properties of N-[(E,2S)-hex-3-en-2-yl]acetamide?
N-[(E,2S)-hex-3-en-2-yl]acetamide has a molecular weight of 141.21 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2S)-hex-3-en-2-yl]acetamide is sourced from PubChem (CID 134947978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).