N-[(3S)-hex-1-en-3-yl]acetamide

C8H15NO — CID 135039948

IUPACN-[(3S)-hex-1-en-3-yl]acetamide
SMILESC=C[C@H](CCC)NC(C)=O
InChIInChI=1S/C8H15NO/c1-4-6-8(5-2)9-7(3)10/h5,8H,2,4,6H2,1,3H3,(H,9,10)/t8-/m1/s1
InChIKeyOTJXDPOYSUDZSG-MRVPVSSYSA-N
MW141.21 g/mol
LogP1.48
Rot. Bonds4

About N-[(3S)-hex-1-en-3-yl]acetamide

N-[(3S)-hex-1-en-3-yl]acetamide (PubChem CID 135039948) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-[(3S)-hex-1-en-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-hex-1-en-3-yl]acetamide
PubChem CID135039948
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-[(3S)-hex-1-en-3-yl]acetamide
SMILESC=C[C@H](CCC)NC(C)=O
InChIInChI=1S/C8H15NO/c1-4-6-8(5-2)9-7(3)10/h5,8H,2,4,6H2,1,3H3,(H,9,10)/t8-/m1/s1
InChIKeyOTJXDPOYSUDZSG-MRVPVSSYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-hex-1-en-3-yl]acetamide?
The IUPAC name of N-[(3S)-hex-1-en-3-yl]acetamide (CID 135039948) is N-[(3S)-hex-1-en-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-hex-1-en-3-yl]acetamide?
The canonical SMILES for N-[(3S)-hex-1-en-3-yl]acetamide is C=C[C@H](CCC)NC(C)=O.
What is the InChIKey of N-[(3S)-hex-1-en-3-yl]acetamide?
The InChIKey is OTJXDPOYSUDZSG-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-6-8(5-2)9-7(3)10/h5,8H,2,4,6H2,1,3H3,(H,9,10)/t8-/m1/s1.
What are the key properties of N-[(3S)-hex-1-en-3-yl]acetamide?
N-[(3S)-hex-1-en-3-yl]acetamide has a molecular weight of 141.21 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-hex-1-en-3-yl]acetamide is sourced from PubChem (CID 135039948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).