2,2-dimethyl-3-(prop-2-ynoxyamino)cyclobutan-1-ol

C9H15NO2 — CID 130645510

IUPAC2,2-dimethyl-3-(prop-2-ynoxyamino)cyclobutan-1-ol
SMILESC#CCONC1CC(O)C1(C)C
InChIInChI=1S/C9H15NO2/c1-4-5-12-10-7-6-8(11)9(7,2)3/h1,7-8,10-11H,5-6H2,2-3H3
InChIKeyIGFBZFNIRMXTGS-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.30
Rot. Bonds3

About 2,2-dimethyl-3-(prop-2-ynoxyamino)cyclobutan-1-ol

2,2-dimethyl-3-(prop-2-ynoxyamino)cyclobutan-1-ol (PubChem CID 130645510) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2,2-dimethyl-3-(prop-2-ynoxyamino)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(prop-2-ynoxyamino)cyclobutan-1-ol
PubChem CID130645510
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2,2-dimethyl-3-(prop-2-ynoxyamino)cyclobutan-1-ol
SMILESC#CCONC1CC(O)C1(C)C
InChIInChI=1S/C9H15NO2/c1-4-5-12-10-7-6-8(11)9(7,2)3/h1,7-8,10-11H,5-6H2,2-3H3
InChIKeyIGFBZFNIRMXTGS-UHFFFAOYSA-N
XLogP0.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-3-(prop-2-ynoxyamino)cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(prop-2-ynoxyamino)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(prop-2-ynoxyamino)cyclobutan-1-ol (CID 130645510) is 2,2-dimethyl-3-(prop-2-ynoxyamino)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(prop-2-ynoxyamino)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(prop-2-ynoxyamino)cyclobutan-1-ol is C#CCONC1CC(O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(prop-2-ynoxyamino)cyclobutan-1-ol?
The InChIKey is IGFBZFNIRMXTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-5-12-10-7-6-8(11)9(7,2)3/h1,7-8,10-11H,5-6H2,2-3H3.
What are the key properties of 2,2-dimethyl-3-(prop-2-ynoxyamino)cyclobutan-1-ol?
2,2-dimethyl-3-(prop-2-ynoxyamino)cyclobutan-1-ol has a molecular weight of 169.22 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(prop-2-ynoxyamino)cyclobutan-1-ol is sourced from PubChem (CID 130645510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).