3-[(prop-2-enylamino)methyl]oxolan-3-ol

C8H15NO2 — CID 106100610

IUPAC3-[(prop-2-enylamino)methyl]oxolan-3-ol
SMILESC=CCNCC1(O)CCOC1
InChIInChI=1S/C8H15NO2/c1-2-4-9-6-8(10)3-5-11-7-8/h2,9-10H,1,3-7H2
InChIKeyMAMLRRIWMKYHFY-UHFFFAOYSA-N
MW157.21 g/mol
LogP-0.09
Rot. Bonds4

About 3-[(prop-2-enylamino)methyl]oxolan-3-ol

3-[(prop-2-enylamino)methyl]oxolan-3-ol (PubChem CID 106100610) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-[(prop-2-enylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(prop-2-enylamino)methyl]oxolan-3-ol
PubChem CID106100610
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-[(prop-2-enylamino)methyl]oxolan-3-ol
SMILESC=CCNCC1(O)CCOC1
InChIInChI=1S/C8H15NO2/c1-2-4-9-6-8(10)3-5-11-7-8/h2,9-10H,1,3-7H2
InChIKeyMAMLRRIWMKYHFY-UHFFFAOYSA-N
XLogP-0.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.09
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-[(prop-2-enylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(prop-2-enylamino)methyl]oxolan-3-ol (CID 106100610) is 3-[(prop-2-enylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(prop-2-enylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(prop-2-enylamino)methyl]oxolan-3-ol is C=CCNCC1(O)CCOC1.
What is the InChIKey of 3-[(prop-2-enylamino)methyl]oxolan-3-ol?
The InChIKey is MAMLRRIWMKYHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-4-9-6-8(10)3-5-11-7-8/h2,9-10H,1,3-7H2.
What are the key properties of 3-[(prop-2-enylamino)methyl]oxolan-3-ol?
3-[(prop-2-enylamino)methyl]oxolan-3-ol has a molecular weight of 157.21 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(prop-2-enylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 106100610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).