1-buta-1,3-dien-2-yl-2-methyl-1-(oxan-2-yl)hydrazine

C10H18N2O — CID 139318291

IUPAC1-buta-1,3-dien-2-yl-2-methyl-1-(oxan-2-yl)hydrazine
SMILESC=CC(=C)N(NC)C1CCCCO1
InChIInChI=1S/C10H18N2O/c1-4-9(2)12(11-3)10-7-5-6-8-13-10/h4,10-11H,1-2,5-8H2,3H3
InChIKeyYPOBKVLYBPUQHY-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.65
Rot. Bonds4

About 1-buta-1,3-dien-2-yl-2-methyl-1-(oxan-2-yl)hydrazine

1-buta-1,3-dien-2-yl-2-methyl-1-(oxan-2-yl)hydrazine (PubChem CID 139318291) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-yl-2-methyl-1-(oxan-2-yl)hydrazine.

Molecular Properties

Compound Name1-buta-1,3-dien-2-yl-2-methyl-1-(oxan-2-yl)hydrazine
PubChem CID139318291
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-buta-1,3-dien-2-yl-2-methyl-1-(oxan-2-yl)hydrazine
SMILESC=CC(=C)N(NC)C1CCCCO1
InChIInChI=1S/C10H18N2O/c1-4-9(2)12(11-3)10-7-5-6-8-13-10/h4,10-11H,1-2,5-8H2,3H3
InChIKeyYPOBKVLYBPUQHY-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dien-2-yl-2-methyl-1-(oxan-2-yl)hydrazine?
The IUPAC name of 1-buta-1,3-dien-2-yl-2-methyl-1-(oxan-2-yl)hydrazine (CID 139318291) is 1-buta-1,3-dien-2-yl-2-methyl-1-(oxan-2-yl)hydrazine.
What is the SMILES notation for 1-buta-1,3-dien-2-yl-2-methyl-1-(oxan-2-yl)hydrazine?
The canonical SMILES for 1-buta-1,3-dien-2-yl-2-methyl-1-(oxan-2-yl)hydrazine is C=CC(=C)N(NC)C1CCCCO1.
What is the InChIKey of 1-buta-1,3-dien-2-yl-2-methyl-1-(oxan-2-yl)hydrazine?
The InChIKey is YPOBKVLYBPUQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-9(2)12(11-3)10-7-5-6-8-13-10/h4,10-11H,1-2,5-8H2,3H3.
What are the key properties of 1-buta-1,3-dien-2-yl-2-methyl-1-(oxan-2-yl)hydrazine?
1-buta-1,3-dien-2-yl-2-methyl-1-(oxan-2-yl)hydrazine has a molecular weight of 182.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dien-2-yl-2-methyl-1-(oxan-2-yl)hydrazine is sourced from PubChem (CID 139318291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).