N-[2-(acetamidomethyl)pent-3-enyl]acetamide

C10H18N2O2 — CID 59755014

IUPACN-[2-(acetamidomethyl)pent-3-enyl]acetamide
SMILESCC=CC(CNC(C)=O)CNC(C)=O
InChIInChI=1S/C10H18N2O2/c1-4-5-10(6-11-8(2)13)7-12-9(3)14/h4-5,10H,6-7H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyGDXCLBBXAIVWON-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.45
Rot. Bonds5

About N-[2-(acetamidomethyl)pent-3-enyl]acetamide

N-[2-(acetamidomethyl)pent-3-enyl]acetamide (PubChem CID 59755014) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-[2-(acetamidomethyl)pent-3-enyl]acetamide.

Molecular Properties

Compound NameN-[2-(acetamidomethyl)pent-3-enyl]acetamide
PubChem CID59755014
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-[2-(acetamidomethyl)pent-3-enyl]acetamide
SMILESCC=CC(CNC(C)=O)CNC(C)=O
InChIInChI=1S/C10H18N2O2/c1-4-5-10(6-11-8(2)13)7-12-9(3)14/h4-5,10H,6-7H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyGDXCLBBXAIVWON-UHFFFAOYSA-N
XLogP0.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
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-[2-(acetamidomethyl)pent-3-enyl]acetamide?
The IUPAC name of N-[2-(acetamidomethyl)pent-3-enyl]acetamide (CID 59755014) is N-[2-(acetamidomethyl)pent-3-enyl]acetamide.
What is the SMILES notation for N-[2-(acetamidomethyl)pent-3-enyl]acetamide?
The canonical SMILES for N-[2-(acetamidomethyl)pent-3-enyl]acetamide is CC=CC(CNC(C)=O)CNC(C)=O.
What is the InChIKey of N-[2-(acetamidomethyl)pent-3-enyl]acetamide?
The InChIKey is GDXCLBBXAIVWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-5-10(6-11-8(2)13)7-12-9(3)14/h4-5,10H,6-7H2,1-3H3,(H,11,13)(H,12,14).
What are the key properties of N-[2-(acetamidomethyl)pent-3-enyl]acetamide?
N-[2-(acetamidomethyl)pent-3-enyl]acetamide has a molecular weight of 198.27 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(acetamidomethyl)pent-3-enyl]acetamide is sourced from PubChem (CID 59755014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).