4,5-bis(ethenyl)-2,3-dihydro-1,3-oxazole;molecular hydrogen

C7H11NO — CID 142291823

IUPAC4,5-bis(ethenyl)-2,3-dihydro-1,3-oxazole;molecular hydrogen
SMILESC=CC1=C(C=C)OCN1.[H][H]
InChIInChI=1S/C7H9NO.H2/c1-3-6-7(4-2)9-5-8-6;/h3-4,8H,1-2,5H2;1H
InChIKeyHCHKEXPYYFUFCU-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.39
Rot. Bonds2

About 4,5-bis(ethenyl)-2,3-dihydro-1,3-oxazole;molecular hydrogen

4,5-bis(ethenyl)-2,3-dihydro-1,3-oxazole;molecular hydrogen (PubChem CID 142291823) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-2,3-dihydro-1,3-oxazole;molecular hydrogen.

Molecular Properties

Compound Name4,5-bis(ethenyl)-2,3-dihydro-1,3-oxazole;molecular hydrogen
PubChem CID142291823
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4,5-bis(ethenyl)-2,3-dihydro-1,3-oxazole;molecular hydrogen
SMILESC=CC1=C(C=C)OCN1.[H][H]
InChIInChI=1S/C7H9NO.H2/c1-3-6-7(4-2)9-5-8-6;/h3-4,8H,1-2,5H2;1H
InChIKeyHCHKEXPYYFUFCU-UHFFFAOYSA-N
XLogP1.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-2,3-dihydro-1,3-oxazole;molecular hydrogen?
The IUPAC name of 4,5-bis(ethenyl)-2,3-dihydro-1,3-oxazole;molecular hydrogen (CID 142291823) is 4,5-bis(ethenyl)-2,3-dihydro-1,3-oxazole;molecular hydrogen.
What is the SMILES notation for 4,5-bis(ethenyl)-2,3-dihydro-1,3-oxazole;molecular hydrogen?
The canonical SMILES for 4,5-bis(ethenyl)-2,3-dihydro-1,3-oxazole;molecular hydrogen is C=CC1=C(C=C)OCN1.[H][H].
What is the InChIKey of 4,5-bis(ethenyl)-2,3-dihydro-1,3-oxazole;molecular hydrogen?
The InChIKey is HCHKEXPYYFUFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.H2/c1-3-6-7(4-2)9-5-8-6;/h3-4,8H,1-2,5H2;1H.
What are the key properties of 4,5-bis(ethenyl)-2,3-dihydro-1,3-oxazole;molecular hydrogen?
4,5-bis(ethenyl)-2,3-dihydro-1,3-oxazole;molecular hydrogen has a molecular weight of 125.17 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-2,3-dihydro-1,3-oxazole;molecular hydrogen is sourced from PubChem (CID 142291823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).