3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole

C9H13NO2 — CID 70660609

IUPAC3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole
SMILESCC(C)c1noc2c1COCC2
InChIInChI=1S/C9H13NO2/c1-6(2)9-7-5-11-4-3-8(7)12-10-9/h6H,3-5H2,1-2H3
InChIKeyNKHVASUZNYWXJY-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.87
Rot. Bonds1

About 3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole

3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole (PubChem CID 70660609) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole.

Molecular Properties

Compound Name3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole
PubChem CID70660609
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole
SMILESCC(C)c1noc2c1COCC2
InChIInChI=1S/C9H13NO2/c1-6(2)9-7-5-11-4-3-8(7)12-10-9/h6H,3-5H2,1-2H3
InChIKeyNKHVASUZNYWXJY-UHFFFAOYSA-N
XLogP1.87
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole?
The IUPAC name of 3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole (CID 70660609) is 3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole.
What is the SMILES notation for 3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole?
The canonical SMILES for 3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole is CC(C)c1noc2c1COCC2.
What is the InChIKey of 3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole?
The InChIKey is NKHVASUZNYWXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6(2)9-7-5-11-4-3-8(7)12-10-9/h6H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole?
3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole has a molecular weight of 167.21 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole is sourced from PubChem (CID 70660609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).