4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one

C9H11NO2 — CID 142057789

IUPAC4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one
SMILESC/C=C\c1[nH]c(=O)oc1/C=C\C
InChIInChI=1S/C9H11NO2/c1-3-5-7-8(6-4-2)12-9(11)10-7/h3-6H,1-2H3,(H,10,11)/b5-3-,6-4-
InChIKeyOEEYFRUARDANJN-GLIMQPGKSA-N
MW165.19 g/mol
LogP2.03
Rot. Bonds2

About 4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one

4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one (PubChem CID 142057789) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one
PubChem CID142057789
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one
SMILESC/C=C\c1[nH]c(=O)oc1/C=C\C
InChIInChI=1S/C9H11NO2/c1-3-5-7-8(6-4-2)12-9(11)10-7/h3-6H,1-2H3,(H,10,11)/b5-3-,6-4-
InChIKeyOEEYFRUARDANJN-GLIMQPGKSA-N
XLogP2.03
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one;ethane
CID 142057788
ethane;5-ethenyl-4-[(Z)-3-hydroxyprop-1-enyl]-3H-1,3-oxazol-2-one
CID 177320496
4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane;molecular hydrogen
CID 144524396
5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one
CID 155726920
4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazol-2-one
CID 130247435
3,7-dihydroxy-2-prop-1-enyl-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione
CID 73323900
4-iodo-5-methyl-3H-1,3-oxazol-2-one
CID 122692101
5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-1,3-oxazine-2,4-dione
CID 143617825
5-prop-1-enyl-1H-imidazole-2,4-diamine
CID 175031592
5-methyl-4-(trifluoromethyl)-3H-1,3-oxazol-2-one
CID 105433256
(2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrole
CID 167284347
1-[2-hydroxy-4,5-bis(prop-1-enyl)furan-3-yl]ethanone
CID 137052710

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one?
The IUPAC name of 4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one (CID 142057789) is 4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one?
The canonical SMILES for 4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one is C/C=C\c1[nH]c(=O)oc1/C=C\C.
What is the InChIKey of 4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one?
The InChIKey is OEEYFRUARDANJN-GLIMQPGKSA-N. The full InChI is InChI=1S/C9H11NO2/c1-3-5-7-8(6-4-2)12-9(11)10-7/h3-6H,1-2H3,(H,10,11)/b5-3-,6-4-.
What are the key properties of 4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one?
4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one has a molecular weight of 165.19 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one is sourced from PubChem (CID 142057789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).