(3R,4S)-4-prop-2-enyloxolan-3-amine

C7H13NO — CID 55289758

IUPAC(3R,4S)-4-prop-2-enyloxolan-3-amine
SMILESC=CC[C@@H]1COC[C@@H]1N
InChIInChI=1S/C7H13NO/c1-2-3-6-4-9-5-7(6)8/h2,6-7H,1,3-5,8H2/t6-,7+/m1/s1
InChIKeyMJLISZGZGOYKED-RQJHMYQMSA-N
MW127.19 g/mol
LogP0.54
Rot. Bonds2

About (3R,4S)-4-prop-2-enyloxolan-3-amine

(3R,4S)-4-prop-2-enyloxolan-3-amine (PubChem CID 55289758) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3R,4S)-4-prop-2-enyloxolan-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-prop-2-enyloxolan-3-amine
PubChem CID55289758
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3R,4S)-4-prop-2-enyloxolan-3-amine
SMILESC=CC[C@@H]1COC[C@@H]1N
InChIInChI=1S/C7H13NO/c1-2-3-6-4-9-5-7(6)8/h2,6-7H,1,3-5,8H2/t6-,7+/m1/s1
InChIKeyMJLISZGZGOYKED-RQJHMYQMSA-N
XLogP0.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-prop-2-enyloxolan-3-amine?
The IUPAC name of (3R,4S)-4-prop-2-enyloxolan-3-amine (CID 55289758) is (3R,4S)-4-prop-2-enyloxolan-3-amine.
What is the SMILES notation for (3R,4S)-4-prop-2-enyloxolan-3-amine?
The canonical SMILES for (3R,4S)-4-prop-2-enyloxolan-3-amine is C=CC[C@@H]1COC[C@@H]1N.
What is the InChIKey of (3R,4S)-4-prop-2-enyloxolan-3-amine?
The InChIKey is MJLISZGZGOYKED-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-3-6-4-9-5-7(6)8/h2,6-7H,1,3-5,8H2/t6-,7+/m1/s1.
What are the key properties of (3R,4S)-4-prop-2-enyloxolan-3-amine?
(3R,4S)-4-prop-2-enyloxolan-3-amine has a molecular weight of 127.19 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-prop-2-enyloxolan-3-amine is sourced from PubChem (CID 55289758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).