3-[(but-3-enylamino)methyl]-2-methyloxolan-3-ol

C10H19NO2 — CID 106100910

IUPAC3-[(but-3-enylamino)methyl]-2-methyloxolan-3-ol
SMILESC=CCCNCC1(O)CCOC1C
InChIInChI=1S/C10H19NO2/c1-3-4-6-11-8-10(12)5-7-13-9(10)2/h3,9,11-12H,1,4-8H2,2H3
InChIKeyUBKYEZADVSZGQQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.69
Rot. Bonds5

About 3-[(but-3-enylamino)methyl]-2-methyloxolan-3-ol

3-[(but-3-enylamino)methyl]-2-methyloxolan-3-ol (PubChem CID 106100910) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[(but-3-enylamino)methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[(but-3-enylamino)methyl]-2-methyloxolan-3-ol
PubChem CID106100910
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-[(but-3-enylamino)methyl]-2-methyloxolan-3-ol
SMILESC=CCCNCC1(O)CCOC1C
InChIInChI=1S/C10H19NO2/c1-3-4-6-11-8-10(12)5-7-13-9(10)2/h3,9,11-12H,1,4-8H2,2H3
InChIKeyUBKYEZADVSZGQQ-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 3-[(but-3-enylamino)methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[(but-3-enylamino)methyl]-2-methyloxolan-3-ol (CID 106100910) is 3-[(but-3-enylamino)methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[(but-3-enylamino)methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[(but-3-enylamino)methyl]-2-methyloxolan-3-ol is C=CCCNCC1(O)CCOC1C.
What is the InChIKey of 3-[(but-3-enylamino)methyl]-2-methyloxolan-3-ol?
The InChIKey is UBKYEZADVSZGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-4-6-11-8-10(12)5-7-13-9(10)2/h3,9,11-12H,1,4-8H2,2H3.
What are the key properties of 3-[(but-3-enylamino)methyl]-2-methyloxolan-3-ol?
3-[(but-3-enylamino)methyl]-2-methyloxolan-3-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 3-[(but-3-enylamino)methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106100910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).