1-but-3-ynylazetidine

C7H11N — CID 130164474

IUPAC1-but-3-ynylazetidine
SMILESC#CCCN1CCC1
InChIInChI=1S/C7H11N/c1-2-3-5-8-6-4-7-8/h1H,3-7H2
InChIKeyQMEULVAOWUGECI-UHFFFAOYSA-N
MW109.17 g/mol
LogP0.72
Rot. Bonds2

About 1-but-3-ynylazetidine

1-but-3-ynylazetidine (PubChem CID 130164474) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 1-but-3-ynylazetidine.

Molecular Properties

Compound Name1-but-3-ynylazetidine
PubChem CID130164474
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name1-but-3-ynylazetidine
SMILESC#CCCN1CCC1
InChIInChI=1S/C7H11N/c1-2-3-5-8-6-4-7-8/h1H,3-7H2
InChIKeyQMEULVAOWUGECI-UHFFFAOYSA-N
XLogP0.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-pent-4-ynylpyrrolidine
CID 82363312
1-but-3-ynyl-4-methylpiperazine
CID 11593463
1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine
CID 63656638
1-but-3-ynylpiperazine
CID 24700258
2-(4-but-3-ynylpiperazin-1-yl)ethanamine
CID 170918250
1-but-3-ynylpiperazine;hydrochloride
CID 171379591
1-[2-(azetidin-1-yl)ethyl]azetidine
CID 130845040
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
1-but-3-ynyl-4-(2-methoxyethyl)piperazine;dihydrochloride
CID 66545499
1-(1-but-3-ynylpiperidin-4-yl)ethanone
CID 63846870
1-but-3-ynyl-N,4-dimethylpiperidin-4-amine
CID 115305025
4-pent-4-ynyl-1,4-oxazepane
CID 115872934

Frequently Asked Questions

What is the IUPAC name of 1-but-3-ynylazetidine?
The IUPAC name of 1-but-3-ynylazetidine (CID 130164474) is 1-but-3-ynylazetidine.
What is the SMILES notation for 1-but-3-ynylazetidine?
The canonical SMILES for 1-but-3-ynylazetidine is C#CCCN1CCC1.
What is the InChIKey of 1-but-3-ynylazetidine?
The InChIKey is QMEULVAOWUGECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-3-5-8-6-4-7-8/h1H,3-7H2.
What are the key properties of 1-but-3-ynylazetidine?
1-but-3-ynylazetidine has a molecular weight of 109.17 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-ynylazetidine is sourced from PubChem (CID 130164474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).