(2R,4S,6R)-2-(aminomethyl)-6-prop-2-enyloxan-4-ol

C9H17NO2 — CID 178195325

IUPAC(2R,4S,6R)-2-(aminomethyl)-6-prop-2-enyloxan-4-ol
SMILESC=CC[C@@H]1C[C@H](O)C[C@H](CN)O1
InChIInChI=1S/C9H17NO2/c1-2-3-8-4-7(11)5-9(6-10)12-8/h2,7-9,11H,1,3-6,10H2/t7-,8+,9+/m0/s1
InChIKeyFVPKQVVPQCGVPA-DJLDLDEBSA-N
MW171.24 g/mol
LogP0.43
Rot. Bonds3

About (2R,4S,6R)-2-(aminomethyl)-6-prop-2-enyloxan-4-ol

(2R,4S,6R)-2-(aminomethyl)-6-prop-2-enyloxan-4-ol (PubChem CID 178195325) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2R,4S,6R)-2-(aminomethyl)-6-prop-2-enyloxan-4-ol.

Molecular Properties

Compound Name(2R,4S,6R)-2-(aminomethyl)-6-prop-2-enyloxan-4-ol
PubChem CID178195325
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2R,4S,6R)-2-(aminomethyl)-6-prop-2-enyloxan-4-ol
SMILESC=CC[C@@H]1C[C@H](O)C[C@H](CN)O1
InChIInChI=1S/C9H17NO2/c1-2-3-8-4-7(11)5-9(6-10)12-8/h2,7-9,11H,1,3-6,10H2/t7-,8+,9+/m0/s1
InChIKeyFVPKQVVPQCGVPA-DJLDLDEBSA-N
XLogP0.43
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R,6R)-2-(2-phenylethyl)-6-prop-2-enyloxan-4-ol
CID 102185556
2-(hydroxymethyl)-5-prop-2-enyloxolan-3-ol
CID 130147586
[(2S,5R)-5-prop-2-enyloxolan-2-yl]methanol
CID 25138505
(2S,4S,6S)-2-ethenyl-6-(2-methylpropyl)oxan-4-ol
CID 122394385
2-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 73196942
(2R,4R,6S)-2-ethenyl-6-(2-methylpropyl)oxan-4-ol
CID 122394384
[(2R,6S)-2,6-bis(prop-2-enyl)oxan-4-yl] 2,2,2-trifluoroacetate
CID 134858227
3-(aminomethyl)cyclobutan-1-ol;hydrochloride
CID 71651055
2-[(E)-but-2-enyl]-6-(1-hydroxyprop-2-enyl)oxan-4-ol
CID 121002369
6-prop-2-enylmorpholin-3-ol
CID 130286495
2,4,6-tris(prop-2-enyl)morpholine
CID 118117986
hexa-1,5-diene;oxiran-2-ylmethanamine
CID 166722212

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6R)-2-(aminomethyl)-6-prop-2-enyloxan-4-ol?
The IUPAC name of (2R,4S,6R)-2-(aminomethyl)-6-prop-2-enyloxan-4-ol (CID 178195325) is (2R,4S,6R)-2-(aminomethyl)-6-prop-2-enyloxan-4-ol.
What is the SMILES notation for (2R,4S,6R)-2-(aminomethyl)-6-prop-2-enyloxan-4-ol?
The canonical SMILES for (2R,4S,6R)-2-(aminomethyl)-6-prop-2-enyloxan-4-ol is C=CC[C@@H]1C[C@H](O)C[C@H](CN)O1.
What is the InChIKey of (2R,4S,6R)-2-(aminomethyl)-6-prop-2-enyloxan-4-ol?
The InChIKey is FVPKQVVPQCGVPA-DJLDLDEBSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-8-4-7(11)5-9(6-10)12-8/h2,7-9,11H,1,3-6,10H2/t7-,8+,9+/m0/s1.
What are the key properties of (2R,4S,6R)-2-(aminomethyl)-6-prop-2-enyloxan-4-ol?
(2R,4S,6R)-2-(aminomethyl)-6-prop-2-enyloxan-4-ol has a molecular weight of 171.24 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6R)-2-(aminomethyl)-6-prop-2-enyloxan-4-ol is sourced from PubChem (CID 178195325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).