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

C11H17NO2 — CID 142057788

IUPAC4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one;ethane
SMILESC/C=C\c1[nH]c(=O)oc1/C=C\C.CC
InChIInChI=1S/C9H11NO2.C2H6/c1-3-5-7-8(6-4-2)12-9(11)10-7;1-2/h3-6H,1-2H3,(H,10,11);1-2H3/b5-3-,6-4-;
InChIKeyKGNIZCMLCJQMTB-VIOUERSGSA-N
MW195.26 g/mol
LogP3.06
Rot. Bonds2

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

4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one;ethane (PubChem CID 142057788) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one;ethane.

Molecular Properties

Compound Name4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one;ethane
PubChem CID142057788
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one;ethane
SMILESC/C=C\c1[nH]c(=O)oc1/C=C\C.CC
InChIInChI=1S/C9H11NO2.C2H6/c1-3-5-7-8(6-4-2)12-9(11)10-7;1-2/h3-6H,1-2H3,(H,10,11);1-2H3/b5-3-,6-4-;
InChIKeyKGNIZCMLCJQMTB-VIOUERSGSA-N
XLogP3.06
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethenyl-4-methyl-3H-1,3-oxazol-2-one
CID 67523329
4,5-bis(ethenyl)-3H-1,3-oxazol-2-one
CID 123737538
5-buta-1,3-dienyl-4-methyl-3H-1,3-oxazol-2-one
CID 123826590
4-ethenyl-5-[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one
CID 129180584
5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-3H-1,3-oxazol-2-one
CID 129299830
4-[(1Z)-buta-1,3-dienyl]-5-methyl-3H-1,3-oxazol-2-one
CID 138717020
tert-butyl N-(2H-pyran-4-yl)carbamate
CID 141106108
ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one
CID 141897540
4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one
CID 142057789
3,6-Dihydrocyclohepta[d][1,3]oxazol-2-one;ethane
CID 142205394
4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane
CID 142218838
4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one
CID 142266560

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one;ethane?
The IUPAC name of 4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one;ethane (CID 142057788) is 4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one;ethane.
What is the SMILES notation for 4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one;ethane?
The canonical SMILES for 4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one;ethane is C/C=C\c1[nH]c(=O)oc1/C=C\C.CC.
What is the InChIKey of 4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one;ethane?
The InChIKey is KGNIZCMLCJQMTB-VIOUERSGSA-N. The full InChI is InChI=1S/C9H11NO2.C2H6/c1-3-5-7-8(6-4-2)12-9(11)10-7;1-2/h3-6H,1-2H3,(H,10,11);1-2H3/b5-3-,6-4-;.
What are the key properties of 4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one;ethane?
4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one;ethane has a molecular weight of 195.26 g/mol, XLogP of 3.06, 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;ethane is sourced from PubChem (CID 142057788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).