Azane;1-but-3-en-2-yl-3-methoxybenzene

C₁₁H₁₇NO — CID 143849691

About Azane;1-but-3-en-2-yl-3-methoxybenzene

Azane;1-but-3-en-2-yl-3-methoxybenzene (PubChem CID 143849691) has the molecular formula C₁₁H₁₇NO and a molecular weight of 179.26 g/mol. Its IUPAC name is azane;1-but-3-en-2-yl-3-methoxybenzene.

Molecular Properties

• Compound Name: Azane;1-but-3-en-2-yl-3-methoxybenzene
• PubChem CID: 143849691
• Molecular Formula: C₁₁H₁₇NO
• Molecular Weight: 179.26 g/mol
• Exact Mass: 179.13
• IUPAC Name: azane;1-but-3-en-2-yl-3-methoxybenzene
• SMILES: C=CC(C)c1cccc(OC)c1.N
• InChI: InChI=1S/C11H14O.H3N/c1-4-9(2)10-6-5-7-11(8-10)12-3;/h4-9H,1H2,2-3H3;1H3
• InChIKey: PYXORQUUTWAVMT-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 44.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	179.26
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Azane;1-but-3-en-2-yl-3-methoxybenzene?

The IUPAC name of Azane;1-but-3-en-2-yl-3-methoxybenzene (CID 143849691) is azane;1-but-3-en-2-yl-3-methoxybenzene.

What is the SMILES notation for Azane;1-but-3-en-2-yl-3-methoxybenzene?

The canonical SMILES for Azane;1-but-3-en-2-yl-3-methoxybenzene is C=CC(C)c1cccc(OC)c1.N.

What is the InChIKey of Azane;1-but-3-en-2-yl-3-methoxybenzene?

The InChIKey is PYXORQUUTWAVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.H3N/c1-4-9(2)10-6-5-7-11(8-10)12-3;/h4-9H,1H2,2-3H3;1H3.

What are the key properties of Azane;1-but-3-en-2-yl-3-methoxybenzene?

Azane;1-but-3-en-2-yl-3-methoxybenzene has a molecular weight of 179.26 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Azane;1-but-3-en-2-yl-3-methoxybenzene is sourced from PubChem (CID 143849691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143849691 — identifiers, structure, computed properties (public domain)

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