1-(1,3-dioxetan-2-yl)prop-1-en-2-amine

C5H9NO2 — CID 173487591

IUPAC1-(1,3-dioxetan-2-yl)prop-1-en-2-amine
SMILESCC(N)=CC1OCO1
InChIInChI=1S/C5H9NO2/c1-4(6)2-5-7-3-8-5/h2,5H,3,6H2,1H3
InChIKeyHVLLJOMTLRJNMM-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.18
Rot. Bonds1

About 1-(1,3-dioxetan-2-yl)prop-1-en-2-amine

1-(1,3-dioxetan-2-yl)prop-1-en-2-amine (PubChem CID 173487591) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 1-(1,3-dioxetan-2-yl)prop-1-en-2-amine.

Molecular Properties

Compound Name1-(1,3-dioxetan-2-yl)prop-1-en-2-amine
PubChem CID173487591
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name1-(1,3-dioxetan-2-yl)prop-1-en-2-amine
SMILESCC(N)=CC1OCO1
InChIInChI=1S/C5H9NO2/c1-4(6)2-5-7-3-8-5/h2,5H,3,6H2,1H3
InChIKeyHVLLJOMTLRJNMM-UHFFFAOYSA-N
XLogP0.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxetan-2-yl)prop-1-en-2-amine?
The IUPAC name of 1-(1,3-dioxetan-2-yl)prop-1-en-2-amine (CID 173487591) is 1-(1,3-dioxetan-2-yl)prop-1-en-2-amine.
What is the SMILES notation for 1-(1,3-dioxetan-2-yl)prop-1-en-2-amine?
The canonical SMILES for 1-(1,3-dioxetan-2-yl)prop-1-en-2-amine is CC(N)=CC1OCO1.
What is the InChIKey of 1-(1,3-dioxetan-2-yl)prop-1-en-2-amine?
The InChIKey is HVLLJOMTLRJNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4(6)2-5-7-3-8-5/h2,5H,3,6H2,1H3.
What are the key properties of 1-(1,3-dioxetan-2-yl)prop-1-en-2-amine?
1-(1,3-dioxetan-2-yl)prop-1-en-2-amine has a molecular weight of 115.13 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxetan-2-yl)prop-1-en-2-amine is sourced from PubChem (CID 173487591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).