(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

rac-(3R,4S)-4-(prop-2-en-1-yl)oxolan-3-amine, cis
CID 124660513
1-Tetrahydrofuran-3-ylprop-2-en-1-amine
CID 65589398
trans-4-Allyltetrahydrofuran-3-amine
CID 76224457
(3R,4R)-4,5-dimethyl-2-methylideneoxolan-3-amine
CID 89103186
3-Allyltetrahydrofuran-3-amine
CID 130135775
(3R,4S)-4-ethenyloxolan-3-amine
CID 130871659
(3S,4S)-4-prop-2-enyloxolan-3-amine
CID 55289757
1-(Oxolan-3-yl)but-3-en-1-amine
CID 65330674
1-(2-Methyloxolan-3-yl)prop-2-en-1-amine
CID 105001037
(3R,4R)-4-prop-2-enyloxolan-3-amine
CID 124660512
4-Ethenyloxolan-3-amine
CID 130023325
rac-(3R,4S)-4-ethenyloxolan-3-amine
CID 165940136

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).