2-methoxy-N-(3-methylidenepent-4-enyl)acetamide

C9H15NO2 — CID 123506969

IUPAC2-methoxy-N-(3-methylidenepent-4-enyl)acetamide
SMILESC=CC(=C)CCNC(=O)COC
InChIInChI=1S/C9H15NO2/c1-4-8(2)5-6-10-9(11)7-12-3/h4H,1-2,5-7H2,3H3,(H,10,11)
InChIKeySDYUSSWPDPDXGR-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.88
Rot. Bonds6

About 2-methoxy-N-(3-methylidenepent-4-enyl)acetamide

2-methoxy-N-(3-methylidenepent-4-enyl)acetamide (PubChem CID 123506969) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-methoxy-N-(3-methylidenepent-4-enyl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(3-methylidenepent-4-enyl)acetamide
PubChem CID123506969
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-methoxy-N-(3-methylidenepent-4-enyl)acetamide
SMILESC=CC(=C)CCNC(=O)COC
InChIInChI=1S/C9H15NO2/c1-4-8(2)5-6-10-9(11)7-12-3/h4H,1-2,5-7H2,3H3,(H,10,11)
InChIKeySDYUSSWPDPDXGR-UHFFFAOYSA-N
XLogP0.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methylidenepent-4-enyl)acetamide?
The IUPAC name of 2-methoxy-N-(3-methylidenepent-4-enyl)acetamide (CID 123506969) is 2-methoxy-N-(3-methylidenepent-4-enyl)acetamide.
What is the SMILES notation for 2-methoxy-N-(3-methylidenepent-4-enyl)acetamide?
The canonical SMILES for 2-methoxy-N-(3-methylidenepent-4-enyl)acetamide is C=CC(=C)CCNC(=O)COC.
What is the InChIKey of 2-methoxy-N-(3-methylidenepent-4-enyl)acetamide?
The InChIKey is SDYUSSWPDPDXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-8(2)5-6-10-9(11)7-12-3/h4H,1-2,5-7H2,3H3,(H,10,11).
What are the key properties of 2-methoxy-N-(3-methylidenepent-4-enyl)acetamide?
2-methoxy-N-(3-methylidenepent-4-enyl)acetamide has a molecular weight of 169.22 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methylidenepent-4-enyl)acetamide is sourced from PubChem (CID 123506969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).