1-(4,4-dimethylpent-2-ynyl)azetidin-3-ol

C10H17NO — CID 126973752

IUPAC1-(4,4-dimethylpent-2-ynyl)azetidin-3-ol
SMILESCC(C)(C)C#CCN1CC(O)C1
InChIInChI=1S/C10H17NO/c1-10(2,3)5-4-6-11-7-9(12)8-11/h9,12H,6-8H2,1-3H3
InChIKeyKFYCGTVVLILNLK-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.71
Rot. Bonds1

About 1-(4,4-dimethylpent-2-ynyl)azetidin-3-ol

1-(4,4-dimethylpent-2-ynyl)azetidin-3-ol (PubChem CID 126973752) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(4,4-dimethylpent-2-ynyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(4,4-dimethylpent-2-ynyl)azetidin-3-ol
PubChem CID126973752
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(4,4-dimethylpent-2-ynyl)azetidin-3-ol
SMILESCC(C)(C)C#CCN1CC(O)C1
InChIInChI=1S/C10H17NO/c1-10(2,3)5-4-6-11-7-9(12)8-11/h9,12H,6-8H2,1-3H3
InChIKeyKFYCGTVVLILNLK-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
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-(4,4-dimethylpent-2-ynyl)azetidin-3-ol?
The IUPAC name of 1-(4,4-dimethylpent-2-ynyl)azetidin-3-ol (CID 126973752) is 1-(4,4-dimethylpent-2-ynyl)azetidin-3-ol.
What is the SMILES notation for 1-(4,4-dimethylpent-2-ynyl)azetidin-3-ol?
The canonical SMILES for 1-(4,4-dimethylpent-2-ynyl)azetidin-3-ol is CC(C)(C)C#CCN1CC(O)C1.
What is the InChIKey of 1-(4,4-dimethylpent-2-ynyl)azetidin-3-ol?
The InChIKey is KFYCGTVVLILNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2,3)5-4-6-11-7-9(12)8-11/h9,12H,6-8H2,1-3H3.
What are the key properties of 1-(4,4-dimethylpent-2-ynyl)azetidin-3-ol?
1-(4,4-dimethylpent-2-ynyl)azetidin-3-ol has a molecular weight of 167.25 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpent-2-ynyl)azetidin-3-ol is sourced from PubChem (CID 126973752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).