6-propan-2-ylidene-4,5-dihydrocyclopenta[d][1,3]oxazole

C9H11NO — CID 58085770

IUPAC6-propan-2-ylidene-4,5-dihydrocyclopenta[d][1,3]oxazole
SMILESCC(C)=C1CCc2ncoc21
InChIInChI=1S/C9H11NO/c1-6(2)7-3-4-8-9(7)11-5-10-8/h5H,3-4H2,1-2H3
InChIKeyZIUPDBHYWNNSAJ-UHFFFAOYSA-N
MW149.19 g/mol
LogP2.41
Rot. Bonds

About 6-propan-2-ylidene-4,5-dihydrocyclopenta[d][1,3]oxazole

6-propan-2-ylidene-4,5-dihydrocyclopenta[d][1,3]oxazole (PubChem CID 58085770) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 6-propan-2-ylidene-4,5-dihydrocyclopenta[d][1,3]oxazole.

Molecular Properties

Compound Name6-propan-2-ylidene-4,5-dihydrocyclopenta[d][1,3]oxazole
PubChem CID58085770
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name6-propan-2-ylidene-4,5-dihydrocyclopenta[d][1,3]oxazole
SMILESCC(C)=C1CCc2ncoc21
InChIInChI=1S/C9H11NO/c1-6(2)7-3-4-8-9(7)11-5-10-8/h5H,3-4H2,1-2H3
InChIKeyZIUPDBHYWNNSAJ-UHFFFAOYSA-N
XLogP2.41
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylidene-4,5-dihydrocyclopenta[d][1,3]oxazole?
The IUPAC name of 6-propan-2-ylidene-4,5-dihydrocyclopenta[d][1,3]oxazole (CID 58085770) is 6-propan-2-ylidene-4,5-dihydrocyclopenta[d][1,3]oxazole.
What is the SMILES notation for 6-propan-2-ylidene-4,5-dihydrocyclopenta[d][1,3]oxazole?
The canonical SMILES for 6-propan-2-ylidene-4,5-dihydrocyclopenta[d][1,3]oxazole is CC(C)=C1CCc2ncoc21.
What is the InChIKey of 6-propan-2-ylidene-4,5-dihydrocyclopenta[d][1,3]oxazole?
The InChIKey is ZIUPDBHYWNNSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-6(2)7-3-4-8-9(7)11-5-10-8/h5H,3-4H2,1-2H3.
What are the key properties of 6-propan-2-ylidene-4,5-dihydrocyclopenta[d][1,3]oxazole?
6-propan-2-ylidene-4,5-dihydrocyclopenta[d][1,3]oxazole has a molecular weight of 149.19 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylidene-4,5-dihydrocyclopenta[d][1,3]oxazole is sourced from PubChem (CID 58085770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).