[(2S,3R)-2-prop-1-en-2-yloxolan-3-yl]methanamine

C8H15NO — CID 99963912

IUPAC[(2S,3R)-2-prop-1-en-2-yloxolan-3-yl]methanamine
SMILESC=C(C)[C@H]1OCC[C@@H]1CN
InChIInChI=1S/C8H15NO/c1-6(2)8-7(5-9)3-4-10-8/h7-8H,1,3-5,9H2,2H3/t7-,8-/m1/s1
InChIKeyVILFIVXMIVVQPI-HTQZYQBOSA-N
MW141.21 g/mol
LogP0.93
Rot. Bonds2

About [(2S,3R)-2-prop-1-en-2-yloxolan-3-yl]methanamine

[(2S,3R)-2-prop-1-en-2-yloxolan-3-yl]methanamine (PubChem CID 99963912) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is [(2S,3R)-2-prop-1-en-2-yloxolan-3-yl]methanamine.

Molecular Properties

Compound Name[(2S,3R)-2-prop-1-en-2-yloxolan-3-yl]methanamine
PubChem CID99963912
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name[(2S,3R)-2-prop-1-en-2-yloxolan-3-yl]methanamine
SMILESC=C(C)[C@H]1OCC[C@@H]1CN
InChIInChI=1S/C8H15NO/c1-6(2)8-7(5-9)3-4-10-8/h7-8H,1,3-5,9H2,2H3/t7-,8-/m1/s1
InChIKeyVILFIVXMIVVQPI-HTQZYQBOSA-N
XLogP0.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Methylideneoxolan-2-yl)ethanamine
CID 142619445
[2-(2-Methylprop-2-enoxy)cyclopentyl]methanamine
CID 65836037
(2-But-3-en-2-yloxycyclopentyl)methanamine
CID 65837879
[2-(2-Methylidenebutoxy)cyclopentyl]methanamine
CID 66046216
[2-(Prop-1-en-2-yl)oxolan-3-yl]methanamine
CID 91654452
[(2R,3R)-2-prop-1-en-2-yloxolan-3-yl]methanamine
CID 99963910
[(2R,3S)-2-prop-1-en-2-yloxolan-3-yl]methanamine
CID 99963916
[(2S,3S)-2-prop-1-en-2-yloxolan-3-yl]methanamine
CID 99963919
3-Methyl-1-(2-methyloxolan-3-yl)but-3-en-1-amine
CID 105004285
3-Methyl-1-(5-methyloxolan-3-yl)but-3-en-1-amine
CID 105004381
2-Methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine
CID 105005565
2-Methyl-1-(2-methyloxolan-3-yl)prop-2-en-1-amine
CID 105005568

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-prop-1-en-2-yloxolan-3-yl]methanamine?
The IUPAC name of [(2S,3R)-2-prop-1-en-2-yloxolan-3-yl]methanamine (CID 99963912) is [(2S,3R)-2-prop-1-en-2-yloxolan-3-yl]methanamine.
What is the SMILES notation for [(2S,3R)-2-prop-1-en-2-yloxolan-3-yl]methanamine?
The canonical SMILES for [(2S,3R)-2-prop-1-en-2-yloxolan-3-yl]methanamine is C=C(C)[C@H]1OCC[C@@H]1CN.
What is the InChIKey of [(2S,3R)-2-prop-1-en-2-yloxolan-3-yl]methanamine?
The InChIKey is VILFIVXMIVVQPI-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)8-7(5-9)3-4-10-8/h7-8H,1,3-5,9H2,2H3/t7-,8-/m1/s1.
What are the key properties of [(2S,3R)-2-prop-1-en-2-yloxolan-3-yl]methanamine?
[(2S,3R)-2-prop-1-en-2-yloxolan-3-yl]methanamine has a molecular weight of 141.21 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-prop-1-en-2-yloxolan-3-yl]methanamine is sourced from PubChem (CID 99963912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).