4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane;molecular hydrogen

C9H15NO2 — CID 144524396

IUPAC4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane;molecular hydrogen
SMILESC=Cc1[nH]c(=O)oc1C=C.CC.[H][H]
InChIInChI=1S/C7H7NO2.C2H6.H2/c1-3-5-6(4-2)10-7(9)8-5;1-2;/h3-4H,1-2H2,(H,8,9);1-2H3;1H
InChIKeyYPYGANOKYHMXSW-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.53
Rot. Bonds2

About 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane;molecular hydrogen

4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane;molecular hydrogen (PubChem CID 144524396) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane;molecular hydrogen.

Molecular Properties

Compound Name4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane;molecular hydrogen
PubChem CID144524396
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane;molecular hydrogen
SMILESC=Cc1[nH]c(=O)oc1C=C.CC.[H][H]
InChIInChI=1S/C7H7NO2.C2H6.H2/c1-3-5-6(4-2)10-7(9)8-5;1-2;/h3-4H,1-2H2,(H,8,9);1-2H3;1H
InChIKeyYPYGANOKYHMXSW-UHFFFAOYSA-N
XLogP2.53
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;5-ethenyl-4-[(Z)-3-hydroxyprop-1-enyl]-3H-1,3-oxazol-2-one
CID 177320496
4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one;ethane
CID 142057788
4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one
CID 142057789
4,5-bis(ethenyl)-1H-pyrazole;ethane;molecular hydrogen
CID 142810838
ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-one
CID 143109190
4,5-bis(ethenyl)furan-2-carboxylic acid;ethane
CID 143305164
4,5-bis(ethenyl)-1,3-oxathiol-2-one
CID 143838126
4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazol-2-one
CID 130247435
5,6-bis(ethenyl)-4-methylpyran-2-one
CID 134344614
6-ethenyl-5-methyl-1H-pyridin-2-one
CID 145204392
4-iodo-5-methyl-3H-1,3-oxazol-2-one
CID 122692101
(E)-1-(4-ethenyl-2-sulfanylidene-3H-1,3-oxazol-5-yl)-N-ethyl-N-methylbut-1-en-2-amine oxide
CID 163460313

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane;molecular hydrogen?
The IUPAC name of 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane;molecular hydrogen (CID 144524396) is 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane;molecular hydrogen.
What is the SMILES notation for 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane;molecular hydrogen?
The canonical SMILES for 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane;molecular hydrogen is C=Cc1[nH]c(=O)oc1C=C.CC.[H][H].
What is the InChIKey of 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane;molecular hydrogen?
The InChIKey is YPYGANOKYHMXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C2H6.H2/c1-3-5-6(4-2)10-7(9)8-5;1-2;/h3-4H,1-2H2,(H,8,9);1-2H3;1H.
What are the key properties of 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane;molecular hydrogen?
4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane;molecular hydrogen has a molecular weight of 169.22 g/mol, XLogP of 2.53, 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)-3H-1,3-oxazol-2-one;ethane;molecular hydrogen is sourced from PubChem (CID 144524396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).