4-(aminomethyl)cyclobut-2-en-1-ol

C5H9NO — CID 91067050

IUPAC4-(aminomethyl)cyclobut-2-en-1-ol
SMILESNCC1C=CC1O
InChIInChI=1S/C5H9NO/c6-3-4-1-2-5(4)7/h1-2,4-5,7H,3,6H2
InChIKeyRLTFOYBHUMCCGF-UHFFFAOYSA-N
MW99.13 g/mol
LogP-0.51
Rot. Bonds1

About 4-(aminomethyl)cyclobut-2-en-1-ol

4-(aminomethyl)cyclobut-2-en-1-ol (PubChem CID 91067050) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 4-(aminomethyl)cyclobut-2-en-1-ol.

Molecular Properties

Compound Name4-(aminomethyl)cyclobut-2-en-1-ol
PubChem CID91067050
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name4-(aminomethyl)cyclobut-2-en-1-ol
SMILESNCC1C=CC1O
InChIInChI=1S/C5H9NO/c6-3-4-1-2-5(4)7/h1-2,4-5,7H,3,6H2
InChIKeyRLTFOYBHUMCCGF-UHFFFAOYSA-N
XLogP-0.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)cyclobut-2-en-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 4-(aminomethyl)cyclobut-2-en-1-ol?
The IUPAC name of 4-(aminomethyl)cyclobut-2-en-1-ol (CID 91067050) is 4-(aminomethyl)cyclobut-2-en-1-ol.
What is the SMILES notation for 4-(aminomethyl)cyclobut-2-en-1-ol?
The canonical SMILES for 4-(aminomethyl)cyclobut-2-en-1-ol is NCC1C=CC1O.
What is the InChIKey of 4-(aminomethyl)cyclobut-2-en-1-ol?
The InChIKey is RLTFOYBHUMCCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c6-3-4-1-2-5(4)7/h1-2,4-5,7H,3,6H2.
What are the key properties of 4-(aminomethyl)cyclobut-2-en-1-ol?
4-(aminomethyl)cyclobut-2-en-1-ol has a molecular weight of 99.13 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)cyclobut-2-en-1-ol is sourced from PubChem (CID 91067050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).