5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyran-4-amine

C10H15NO — CID 89385260

IUPAC5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyran-4-amine
SMILESC=C/C=C\C1=C(C)OCCC1N
InChIInChI=1S/C10H15NO/c1-3-4-5-9-8(2)12-7-6-10(9)11/h3-5,10H,1,6-7,11H2,2H3/b5-4-
InChIKeyZWZXDBRBYMZGLA-PLNGDYQASA-N
MW165.24 g/mol
LogP1.75
Rot. Bonds2

About 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyran-4-amine

5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyran-4-amine (PubChem CID 89385260) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyran-4-amine.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyran-4-amine
PubChem CID89385260
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyran-4-amine
SMILESC=C/C=C\C1=C(C)OCCC1N
InChIInChI=1S/C10H15NO/c1-3-4-5-9-8(2)12-7-6-10(9)11/h3-5,10H,1,6-7,11H2,2H3/b5-4-
InChIKeyZWZXDBRBYMZGLA-PLNGDYQASA-N
XLogP1.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.75
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 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyran-4-amine?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyran-4-amine (CID 89385260) is 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyran-4-amine.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyran-4-amine?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyran-4-amine is C=C/C=C\C1=C(C)OCCC1N.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyran-4-amine?
The InChIKey is ZWZXDBRBYMZGLA-PLNGDYQASA-N. The full InChI is InChI=1S/C10H15NO/c1-3-4-5-9-8(2)12-7-6-10(9)11/h3-5,10H,1,6-7,11H2,2H3/b5-4-.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyran-4-amine?
5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyran-4-amine has a molecular weight of 165.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyran-4-amine is sourced from PubChem (CID 89385260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).