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

C9H17NO2 — CID 123194018

IUPAC2-methoxy-N-(3-methylpent-3-en-2-yl)acetamide
SMILESCC=C(C)C(C)NC(=O)COC
InChIInChI=1S/C9H17NO2/c1-5-7(2)8(3)10-9(11)6-12-4/h5,8H,6H2,1-4H3,(H,10,11)
InChIKeyFWTKIRDEAZNQBV-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds4

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

2-methoxy-N-(3-methylpent-3-en-2-yl)acetamide (PubChem CID 123194018) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methoxy-N-(3-methylpent-3-en-2-yl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(3-methylpent-3-en-2-yl)acetamide
PubChem CID123194018
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-methoxy-N-(3-methylpent-3-en-2-yl)acetamide
SMILESCC=C(C)C(C)NC(=O)COC
InChIInChI=1S/C9H17NO2/c1-5-7(2)8(3)10-9(11)6-12-4/h5,8H,6H2,1-4H3,(H,10,11)
InChIKeyFWTKIRDEAZNQBV-UHFFFAOYSA-N
XLogP1.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 2-methoxy-N-(3-methylpent-3-en-2-yl)acetamide?
The IUPAC name of 2-methoxy-N-(3-methylpent-3-en-2-yl)acetamide (CID 123194018) is 2-methoxy-N-(3-methylpent-3-en-2-yl)acetamide.
What is the SMILES notation for 2-methoxy-N-(3-methylpent-3-en-2-yl)acetamide?
The canonical SMILES for 2-methoxy-N-(3-methylpent-3-en-2-yl)acetamide is CC=C(C)C(C)NC(=O)COC.
What is the InChIKey of 2-methoxy-N-(3-methylpent-3-en-2-yl)acetamide?
The InChIKey is FWTKIRDEAZNQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-7(2)8(3)10-9(11)6-12-4/h5,8H,6H2,1-4H3,(H,10,11).
What are the key properties of 2-methoxy-N-(3-methylpent-3-en-2-yl)acetamide?
2-methoxy-N-(3-methylpent-3-en-2-yl)acetamide has a molecular weight of 171.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methylpent-3-en-2-yl)acetamide is sourced from PubChem (CID 123194018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).