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

C10H17NO2 — CID 54563011

IUPACN-[(3S)-3-acetylhex-5-en-2-yl]acetamide
SMILESC=CCC(C(C)=O)C(C)NC(C)=O
InChIInChI=1S/C10H17NO2/c1-5-6-10(8(3)12)7(2)11-9(4)13/h5,7,10H,1,6H2,2-4H3,(H,11,13)
InChIKeyZRVUGUKREGULMG-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.29
Rot. Bonds5

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

N-[(3S)-3-acetylhex-5-en-2-yl]acetamide (PubChem CID 54563011) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[(3S)-3-acetylhex-5-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-3-acetylhex-5-en-2-yl]acetamide
PubChem CID54563011
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-[(3S)-3-acetylhex-5-en-2-yl]acetamide
SMILESC=CCC(C(C)=O)C(C)NC(C)=O
InChIInChI=1S/C10H17NO2/c1-5-6-10(8(3)12)7(2)11-9(4)13/h5,7,10H,1,6H2,2-4H3,(H,11,13)
InChIKeyZRVUGUKREGULMG-UHFFFAOYSA-N
XLogP1.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-acetylhex-5-en-2-yl]acetamide?
The IUPAC name of N-[(3S)-3-acetylhex-5-en-2-yl]acetamide (CID 54563011) is N-[(3S)-3-acetylhex-5-en-2-yl]acetamide.
What is the SMILES notation for N-[(3S)-3-acetylhex-5-en-2-yl]acetamide?
The canonical SMILES for N-[(3S)-3-acetylhex-5-en-2-yl]acetamide is C=CCC(C(C)=O)C(C)NC(C)=O.
What is the InChIKey of N-[(3S)-3-acetylhex-5-en-2-yl]acetamide?
The InChIKey is ZRVUGUKREGULMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-6-10(8(3)12)7(2)11-9(4)13/h5,7,10H,1,6H2,2-4H3,(H,11,13).
What are the key properties of N-[(3S)-3-acetylhex-5-en-2-yl]acetamide?
N-[(3S)-3-acetylhex-5-en-2-yl]acetamide has a molecular weight of 183.25 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-acetylhex-5-en-2-yl]acetamide is sourced from PubChem (CID 54563011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).