(1S)-1-[(2S)-oxiran-2-yl]prop-2-en-1-amine

C5H9NO — CID 101488014

IUPAC(1S)-1-[(2S)-oxiran-2-yl]prop-2-en-1-amine
SMILESC=C[C@H](N)[C@H]1CO1
InChIInChI=1S/C5H9NO/c1-2-4(6)5-3-7-5/h2,4-5H,1,3,6H2/t4-,5+/m0/s1
InChIKeyJXYQQXWYIOZJPF-CRCLSJGQSA-N
MW99.13 g/mol
LogP-0.10
Rot. Bonds2

About (1S)-1-[(2S)-oxiran-2-yl]prop-2-en-1-amine

(1S)-1-[(2S)-oxiran-2-yl]prop-2-en-1-amine (PubChem CID 101488014) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (1S)-1-[(2S)-oxiran-2-yl]prop-2-en-1-amine.

Molecular Properties

Compound Name(1S)-1-[(2S)-oxiran-2-yl]prop-2-en-1-amine
PubChem CID101488014
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(1S)-1-[(2S)-oxiran-2-yl]prop-2-en-1-amine
SMILESC=C[C@H](N)[C@H]1CO1
InChIInChI=1S/C5H9NO/c1-2-4(6)5-3-7-5/h2,4-5H,1,3,6H2/t4-,5+/m0/s1
InChIKeyJXYQQXWYIOZJPF-CRCLSJGQSA-N
XLogP-0.10
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(2S)-but-3-en-2-yl]oxirane
CID 10103123
2-[1-[1-(oxiran-2-yl)prop-2-enylsulfanyl]prop-2-enyl]oxirane
CID 54063311
chloro(oxiran-2-yl)methanamine;hydrate
CID 173344099
1-(3,3-difluorocyclobutyl)prop-2-en-1-amine
CID 130995610
1-(oxiran-2-yl)but-3-en-1-ol
CID 11126217
1-thiomorpholin-2-ylprop-2-en-1-amine
CID 66979199
2-[1-(oxiran-2-yl)prop-2-enoxy]ethanol
CID 87755062
2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane
CID 11195175
(1S,2R)-1-[(2S)-(2,3-13C2)oxiran-2-yl]-2-[(2R)-(2,3-13C2)oxiran-2-yl](1,2-13C2)ethane-1,2-diol
CID 169439479
(1R)-1-[(2R)-oxiran-2-yl]-2-[(2S)-oxiran-2-yl]ethane-1,2-diol
CID 170000546
(1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethanamine
CID 141086747
1-[2-(2-methylpropyl)cyclopropyl]prop-2-en-1-amine
CID 131228044

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S)-oxiran-2-yl]prop-2-en-1-amine?
The IUPAC name of (1S)-1-[(2S)-oxiran-2-yl]prop-2-en-1-amine (CID 101488014) is (1S)-1-[(2S)-oxiran-2-yl]prop-2-en-1-amine.
What is the SMILES notation for (1S)-1-[(2S)-oxiran-2-yl]prop-2-en-1-amine?
The canonical SMILES for (1S)-1-[(2S)-oxiran-2-yl]prop-2-en-1-amine is C=C[C@H](N)[C@H]1CO1.
What is the InChIKey of (1S)-1-[(2S)-oxiran-2-yl]prop-2-en-1-amine?
The InChIKey is JXYQQXWYIOZJPF-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-4(6)5-3-7-5/h2,4-5H,1,3,6H2/t4-,5+/m0/s1.
What are the key properties of (1S)-1-[(2S)-oxiran-2-yl]prop-2-en-1-amine?
(1S)-1-[(2S)-oxiran-2-yl]prop-2-en-1-amine has a molecular weight of 99.13 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S)-oxiran-2-yl]prop-2-en-1-amine is sourced from PubChem (CID 101488014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).