1-buta-1,3-diynyl-3-methylimidazolidine

C8H10N2 — CID 140617869

IUPAC1-buta-1,3-diynyl-3-methylimidazolidine
SMILESC#CC#CN1CCN(C)C1
InChIInChI=1S/C8H10N2/c1-3-4-5-10-7-6-9(2)8-10/h1H,6-8H2,2H3
InChIKeyYHZDQJBYXYTSCJ-UHFFFAOYSA-N
MW134.18 g/mol
LogP-0.21
Rot. Bonds

About 1-buta-1,3-diynyl-3-methylimidazolidine

1-buta-1,3-diynyl-3-methylimidazolidine (PubChem CID 140617869) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-buta-1,3-diynyl-3-methylimidazolidine.

Molecular Properties

Compound Name1-buta-1,3-diynyl-3-methylimidazolidine
PubChem CID140617869
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1-buta-1,3-diynyl-3-methylimidazolidine
SMILESC#CC#CN1CCN(C)C1
InChIInChI=1S/C8H10N2/c1-3-4-5-10-7-6-9(2)8-10/h1H,6-8H2,2H3
InChIKeyYHZDQJBYXYTSCJ-UHFFFAOYSA-N
XLogP-0.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-diynyl-3-methylimidazolidine?
The IUPAC name of 1-buta-1,3-diynyl-3-methylimidazolidine (CID 140617869) is 1-buta-1,3-diynyl-3-methylimidazolidine.
What is the SMILES notation for 1-buta-1,3-diynyl-3-methylimidazolidine?
The canonical SMILES for 1-buta-1,3-diynyl-3-methylimidazolidine is C#CC#CN1CCN(C)C1.
What is the InChIKey of 1-buta-1,3-diynyl-3-methylimidazolidine?
The InChIKey is YHZDQJBYXYTSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-4-5-10-7-6-9(2)8-10/h1H,6-8H2,2H3.
What are the key properties of 1-buta-1,3-diynyl-3-methylimidazolidine?
1-buta-1,3-diynyl-3-methylimidazolidine has a molecular weight of 134.18 g/mol, XLogP of -0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-diynyl-3-methylimidazolidine is sourced from PubChem (CID 140617869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).