5-methyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole

C10H17NO — CID 20586430

IUPAC5-methyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
SMILESCC1CC2ON=C(C(C)C)C2C1
InChIInChI=1S/C10H17NO/c1-6(2)10-8-4-7(3)5-9(8)12-11-10/h6-9H,4-5H2,1-3H3
InChIKeyYDKSWGSQOBVJAI-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.44
Rot. Bonds1

About 5-methyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole

5-methyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole (PubChem CID 20586430) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 5-methyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole.

Molecular Properties

Compound Name5-methyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
PubChem CID20586430
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name5-methyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
SMILESCC1CC2ON=C(C(C)C)C2C1
InChIInChI=1S/C10H17NO/c1-6(2)10-8-4-7(3)5-9(8)12-11-10/h6-9H,4-5H2,1-3H3
InChIKeyYDKSWGSQOBVJAI-UHFFFAOYSA-N
XLogP2.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole?
The IUPAC name of 5-methyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole (CID 20586430) is 5-methyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole.
What is the SMILES notation for 5-methyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole?
The canonical SMILES for 5-methyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole is CC1CC2ON=C(C(C)C)C2C1.
What is the InChIKey of 5-methyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole?
The InChIKey is YDKSWGSQOBVJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-6(2)10-8-4-7(3)5-9(8)12-11-10/h6-9H,4-5H2,1-3H3.
What are the key properties of 5-methyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole?
5-methyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole has a molecular weight of 167.25 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole is sourced from PubChem (CID 20586430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).