(2S,3S)-3-amino-2-prop-1-enyl-2,3-dihydropyran-6-one

C8H11NO2 — CID 91124583

IUPAC(2S,3S)-3-amino-2-prop-1-enyl-2,3-dihydropyran-6-one
SMILESCC=C[C@@H]1OC(=O)C=C[C@@H]1N
InChIInChI=1S/C8H11NO2/c1-2-3-7-6(9)4-5-8(10)11-7/h2-7H,9H2,1H3/t6-,7-/m0/s1
InChIKeyHNIUFFQNMWTCHP-BQBZGAKWSA-N
MW153.18 g/mol
LogP0.37
Rot. Bonds1

About (2S,3S)-3-amino-2-prop-1-enyl-2,3-dihydropyran-6-one

(2S,3S)-3-amino-2-prop-1-enyl-2,3-dihydropyran-6-one (PubChem CID 91124583) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (2S,3S)-3-amino-2-prop-1-enyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S,3S)-3-amino-2-prop-1-enyl-2,3-dihydropyran-6-one
PubChem CID91124583
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(2S,3S)-3-amino-2-prop-1-enyl-2,3-dihydropyran-6-one
SMILESCC=C[C@@H]1OC(=O)C=C[C@@H]1N
InChIInChI=1S/C8H11NO2/c1-2-3-7-6(9)4-5-8(10)11-7/h2-7H,9H2,1H3/t6-,7-/m0/s1
InChIKeyHNIUFFQNMWTCHP-BQBZGAKWSA-N
XLogP0.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2S,3S)-3-amino-2-prop-1-enyl-2,3-dihydropyran-6-one?
The IUPAC name of (2S,3S)-3-amino-2-prop-1-enyl-2,3-dihydropyran-6-one (CID 91124583) is (2S,3S)-3-amino-2-prop-1-enyl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S,3S)-3-amino-2-prop-1-enyl-2,3-dihydropyran-6-one?
The canonical SMILES for (2S,3S)-3-amino-2-prop-1-enyl-2,3-dihydropyran-6-one is CC=C[C@@H]1OC(=O)C=C[C@@H]1N.
What is the InChIKey of (2S,3S)-3-amino-2-prop-1-enyl-2,3-dihydropyran-6-one?
The InChIKey is HNIUFFQNMWTCHP-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-3-7-6(9)4-5-8(10)11-7/h2-7H,9H2,1H3/t6-,7-/m0/s1.
What are the key properties of (2S,3S)-3-amino-2-prop-1-enyl-2,3-dihydropyran-6-one?
(2S,3S)-3-amino-2-prop-1-enyl-2,3-dihydropyran-6-one has a molecular weight of 153.18 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-2-prop-1-enyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 91124583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).