N-[(2S,3R)-2-methoxyhex-5-en-3-yl]acetamide

C9H17NO2 — CID 89341512

IUPACN-[(2S,3R)-2-methoxyhex-5-en-3-yl]acetamide
SMILESC=CC[C@@H](NC(C)=O)[C@H](C)OC
InChIInChI=1S/C9H17NO2/c1-5-6-9(7(2)12-4)10-8(3)11/h5,7,9H,1,6H2,2-4H3,(H,10,11)/t7-,9+/m0/s1
InChIKeyIZDZONJYKYCSAZ-IONNQARKSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds5

About N-[(2S,3R)-2-methoxyhex-5-en-3-yl]acetamide

N-[(2S,3R)-2-methoxyhex-5-en-3-yl]acetamide (PubChem CID 89341512) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[(2S,3R)-2-methoxyhex-5-en-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R)-2-methoxyhex-5-en-3-yl]acetamide
PubChem CID89341512
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-[(2S,3R)-2-methoxyhex-5-en-3-yl]acetamide
SMILESC=CC[C@@H](NC(C)=O)[C@H](C)OC
InChIInChI=1S/C9H17NO2/c1-5-6-9(7(2)12-4)10-8(3)11/h5,7,9H,1,6H2,2-4H3,(H,10,11)/t7-,9+/m0/s1
InChIKeyIZDZONJYKYCSAZ-IONNQARKSA-N
XLogP1.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
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-[(2S,3R)-2-methoxyhex-5-en-3-yl]acetamide?
The IUPAC name of N-[(2S,3R)-2-methoxyhex-5-en-3-yl]acetamide (CID 89341512) is N-[(2S,3R)-2-methoxyhex-5-en-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R)-2-methoxyhex-5-en-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R)-2-methoxyhex-5-en-3-yl]acetamide is C=CC[C@@H](NC(C)=O)[C@H](C)OC.
What is the InChIKey of N-[(2S,3R)-2-methoxyhex-5-en-3-yl]acetamide?
The InChIKey is IZDZONJYKYCSAZ-IONNQARKSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-6-9(7(2)12-4)10-8(3)11/h5,7,9H,1,6H2,2-4H3,(H,10,11)/t7-,9+/m0/s1.
What are the key properties of N-[(2S,3R)-2-methoxyhex-5-en-3-yl]acetamide?
N-[(2S,3R)-2-methoxyhex-5-en-3-yl]acetamide has a molecular weight of 171.24 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-methoxyhex-5-en-3-yl]acetamide is sourced from PubChem (CID 89341512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).