N-ethyl-N-(3-methylpent-3-en-2-yl)acetamide

C10H19NO — CID 123722953

IUPACN-ethyl-N-(3-methylpent-3-en-2-yl)acetamide
SMILESCC=C(C)C(C)N(CC)C(C)=O
InChIInChI=1S/C10H19NO/c1-6-8(3)9(4)11(7-2)10(5)12/h6,9H,7H2,1-5H3
InChIKeyGPRUSBJLNVMGEZ-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.21
Rot. Bonds3

About N-ethyl-N-(3-methylpent-3-en-2-yl)acetamide

N-ethyl-N-(3-methylpent-3-en-2-yl)acetamide (PubChem CID 123722953) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-ethyl-N-(3-methylpent-3-en-2-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylpent-3-en-2-yl)acetamide
PubChem CID123722953
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-ethyl-N-(3-methylpent-3-en-2-yl)acetamide
SMILESCC=C(C)C(C)N(CC)C(C)=O
InChIInChI=1S/C10H19NO/c1-6-8(3)9(4)11(7-2)10(5)12/h6,9H,7H2,1-5H3
InChIKeyGPRUSBJLNVMGEZ-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
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-ethyl-N-(3-methylpent-3-en-2-yl)acetamide?
The IUPAC name of N-ethyl-N-(3-methylpent-3-en-2-yl)acetamide (CID 123722953) is N-ethyl-N-(3-methylpent-3-en-2-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(3-methylpent-3-en-2-yl)acetamide?
The canonical SMILES for N-ethyl-N-(3-methylpent-3-en-2-yl)acetamide is CC=C(C)C(C)N(CC)C(C)=O.
What is the InChIKey of N-ethyl-N-(3-methylpent-3-en-2-yl)acetamide?
The InChIKey is GPRUSBJLNVMGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-6-8(3)9(4)11(7-2)10(5)12/h6,9H,7H2,1-5H3.
What are the key properties of N-ethyl-N-(3-methylpent-3-en-2-yl)acetamide?
N-ethyl-N-(3-methylpent-3-en-2-yl)acetamide has a molecular weight of 169.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylpent-3-en-2-yl)acetamide is sourced from PubChem (CID 123722953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).