3-[(pent-4-enylamino)methyl]oxolan-3-ol

C10H19NO2 — CID 106100681

IUPAC3-[(pent-4-enylamino)methyl]oxolan-3-ol
SMILESC=CCCCNCC1(O)CCOC1
InChIInChI=1S/C10H19NO2/c1-2-3-4-6-11-8-10(12)5-7-13-9-10/h2,11-12H,1,3-9H2
InChIKeyHXXNPCMUQQZBNR-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.69
Rot. Bonds6

About 3-[(pent-4-enylamino)methyl]oxolan-3-ol

3-[(pent-4-enylamino)methyl]oxolan-3-ol (PubChem CID 106100681) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[(pent-4-enylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(pent-4-enylamino)methyl]oxolan-3-ol
PubChem CID106100681
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-[(pent-4-enylamino)methyl]oxolan-3-ol
SMILESC=CCCCNCC1(O)CCOC1
InChIInChI=1S/C10H19NO2/c1-2-3-4-6-11-8-10(12)5-7-13-9-10/h2,11-12H,1,3-9H2
InChIKeyHXXNPCMUQQZBNR-UHFFFAOYSA-N
XLogP0.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

N-[(3-hydroxyoxolan-3-yl)methyl]pent-4-enamide
CID 103849251
3-[(Hex-5-en-2-ylamino)methyl]oxolan-3-ol
CID 104583578
N-[(3-methoxyoxolan-3-yl)methyl]hex-5-en-2-amine
CID 104705800
N-[(3-methoxyoxolan-3-yl)methyl]but-3-en-1-amine
CID 104760773
N-[(3-methoxyoxolan-3-yl)methyl]pent-4-en-1-amine
CID 104760906
3-[[[(E)-but-2-enyl]amino]methyl]oxolan-3-ol
CID 106100390
3-[(But-3-enylamino)methyl]oxolan-3-ol
CID 106100433
3-[(2-Methylidenebutylamino)methyl]oxolan-3-ol
CID 106100453
3-[(But-3-en-2-ylamino)methyl]oxolan-3-ol
CID 106100471
3-[(Hept-6-enylamino)methyl]oxolan-3-ol
CID 106100473
3-[(2-Methylprop-2-enylamino)methyl]oxolan-3-ol
CID 106100570
3-[[[(E)-4-chlorobut-2-enyl]amino]methyl]oxolan-3-ol
CID 106100576

Frequently Asked Questions

What is the IUPAC name of 3-[(pent-4-enylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(pent-4-enylamino)methyl]oxolan-3-ol (CID 106100681) is 3-[(pent-4-enylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(pent-4-enylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(pent-4-enylamino)methyl]oxolan-3-ol is C=CCCCNCC1(O)CCOC1.
What is the InChIKey of 3-[(pent-4-enylamino)methyl]oxolan-3-ol?
The InChIKey is HXXNPCMUQQZBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-4-6-11-8-10(12)5-7-13-9-10/h2,11-12H,1,3-9H2.
What are the key properties of 3-[(pent-4-enylamino)methyl]oxolan-3-ol?
3-[(pent-4-enylamino)methyl]oxolan-3-ol has a molecular weight of 185.27 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(pent-4-enylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 106100681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).