2-(oxolan-3-yloxymethyl)prop-2-en-1-amine

C8H15NO2 — CID 103074800

IUPAC2-(oxolan-3-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COC1CCOC1
InChIInChI=1S/C8H15NO2/c1-7(4-9)5-11-8-2-3-10-6-8/h8H,1-6,9H2
InChIKeyCYUADFUBXACSTH-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.31
Rot. Bonds4

About 2-(oxolan-3-yloxymethyl)prop-2-en-1-amine

2-(oxolan-3-yloxymethyl)prop-2-en-1-amine (PubChem CID 103074800) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(oxolan-3-yloxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(oxolan-3-yloxymethyl)prop-2-en-1-amine
PubChem CID103074800
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-(oxolan-3-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COC1CCOC1
InChIInChI=1S/C8H15NO2/c1-7(4-9)5-11-8-2-3-10-6-8/h8H,1-6,9H2
InChIKeyCYUADFUBXACSTH-UHFFFAOYSA-N
XLogP0.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Propan-2-yloxyethoxymethyl)prop-2-en-1-amine
CID 103074459
2-(Oxolan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074466
2-(1-Methoxypropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074752
N-methyl-2-(oxolan-3-yloxymethyl)prop-2-en-1-amine
CID 103074801
2-(1-Ethoxypropan-2-yloxymethyl)prop-2-en-1-amine
CID 103489360

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yloxymethyl)prop-2-en-1-amine?
The IUPAC name of 2-(oxolan-3-yloxymethyl)prop-2-en-1-amine (CID 103074800) is 2-(oxolan-3-yloxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(oxolan-3-yloxymethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(oxolan-3-yloxymethyl)prop-2-en-1-amine is C=C(CN)COC1CCOC1.
What is the InChIKey of 2-(oxolan-3-yloxymethyl)prop-2-en-1-amine?
The InChIKey is CYUADFUBXACSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(4-9)5-11-8-2-3-10-6-8/h8H,1-6,9H2.
What are the key properties of 2-(oxolan-3-yloxymethyl)prop-2-en-1-amine?
2-(oxolan-3-yloxymethyl)prop-2-en-1-amine has a molecular weight of 157.21 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yloxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).