(E)-4-(cyclobutylamino)but-2-en-1-ol

C8H15NO — CID 115011424

IUPAC(E)-4-(cyclobutylamino)but-2-en-1-ol
SMILESOC/C=C/CNC1CCC1
InChIInChI=1S/C8H15NO/c10-7-2-1-6-9-8-4-3-5-8/h1-2,8-10H,3-7H2/b2-1+
InChIKeyZLDGPKKWHCRWTF-OWOJBTEDSA-N
MW141.21 g/mol
LogP0.68
Rot. Bonds4

About (E)-4-(cyclobutylamino)but-2-en-1-ol

(E)-4-(cyclobutylamino)but-2-en-1-ol (PubChem CID 115011424) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (E)-4-(cyclobutylamino)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(cyclobutylamino)but-2-en-1-ol
PubChem CID115011424
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(E)-4-(cyclobutylamino)but-2-en-1-ol
SMILESOC/C=C/CNC1CCC1
InChIInChI=1S/C8H15NO/c10-7-2-1-6-9-8-4-3-5-8/h1-2,8-10H,3-7H2/b2-1+
InChIKeyZLDGPKKWHCRWTF-OWOJBTEDSA-N
XLogP0.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(butan-2-ylamino)but-2-en-1-ol
CID 87799643
(E)-4-(propan-2-ylamino)but-2-en-1-ol
CID 115011201
(E)-4-(cyclopropylamino)but-2-en-1-ol
CID 115011146
(E)-4-(propylamino)but-2-en-1-ol
CID 115011202
(E)-4-(cyclopentylamino)but-2-en-1-ol
CID 115012080

Frequently Asked Questions

What is the IUPAC name of (E)-4-(cyclobutylamino)but-2-en-1-ol?
The IUPAC name of (E)-4-(cyclobutylamino)but-2-en-1-ol (CID 115011424) is (E)-4-(cyclobutylamino)but-2-en-1-ol.
What is the SMILES notation for (E)-4-(cyclobutylamino)but-2-en-1-ol?
The canonical SMILES for (E)-4-(cyclobutylamino)but-2-en-1-ol is OC/C=C/CNC1CCC1.
What is the InChIKey of (E)-4-(cyclobutylamino)but-2-en-1-ol?
The InChIKey is ZLDGPKKWHCRWTF-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H15NO/c10-7-2-1-6-9-8-4-3-5-8/h1-2,8-10H,3-7H2/b2-1+.
What are the key properties of (E)-4-(cyclobutylamino)but-2-en-1-ol?
(E)-4-(cyclobutylamino)but-2-en-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(cyclobutylamino)but-2-en-1-ol is sourced from PubChem (CID 115011424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).