4-[(but-3-enylamino)methyl]oxan-4-ol

C10H19NO2 — CID 81131218

IUPAC4-[(but-3-enylamino)methyl]oxan-4-ol
SMILESC=CCCNCC1(O)CCOCC1
InChIInChI=1S/C10H19NO2/c1-2-3-6-11-9-10(12)4-7-13-8-5-10/h2,11-12H,1,3-9H2
InChIKeySMQHPZIZLURHEM-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.69
Rot. Bonds5

About 4-[(but-3-enylamino)methyl]oxan-4-ol

4-[(but-3-enylamino)methyl]oxan-4-ol (PubChem CID 81131218) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-[(but-3-enylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(but-3-enylamino)methyl]oxan-4-ol
PubChem CID81131218
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-[(but-3-enylamino)methyl]oxan-4-ol
SMILESC=CCCNCC1(O)CCOCC1
InChIInChI=1S/C10H19NO2/c1-2-3-6-11-9-10(12)4-7-13-8-5-10/h2,11-12H,1,3-9H2
InChIKeySMQHPZIZLURHEM-UHFFFAOYSA-N
XLogP0.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(but-3-enylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(but-3-enylamino)methyl]oxan-4-ol (CID 81131218) is 4-[(but-3-enylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(but-3-enylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(but-3-enylamino)methyl]oxan-4-ol is C=CCCNCC1(O)CCOCC1.
What is the InChIKey of 4-[(but-3-enylamino)methyl]oxan-4-ol?
The InChIKey is SMQHPZIZLURHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-6-11-9-10(12)4-7-13-8-5-10/h2,11-12H,1,3-9H2.
What are the key properties of 4-[(but-3-enylamino)methyl]oxan-4-ol?
4-[(but-3-enylamino)methyl]oxan-4-ol has a molecular weight of 185.27 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(but-3-enylamino)methyl]oxan-4-ol is sourced from PubChem (CID 81131218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).