2,6,7-trimethyl-2-nitroso-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran

C9H15NO4 — CID 91191497

IUPAC2,6,7-trimethyl-2-nitroso-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran
SMILESCC1COC2OC(C)(N=O)OC2C1C
InChIInChI=1S/C9H15NO4/c1-5-4-12-8-7(6(5)2)13-9(3,10-11)14-8/h5-8H,4H2,1-3H3
InChIKeyUZKWPRVWAQSBBW-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.47
Rot. Bonds1

About 2,6,7-trimethyl-2-nitroso-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran

2,6,7-trimethyl-2-nitroso-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran (PubChem CID 91191497) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2,6,7-trimethyl-2-nitroso-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran.

Molecular Properties

Compound Name2,6,7-trimethyl-2-nitroso-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran
PubChem CID91191497
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2,6,7-trimethyl-2-nitroso-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran
SMILESCC1COC2OC(C)(N=O)OC2C1C
InChIInChI=1S/C9H15NO4/c1-5-4-12-8-7(6(5)2)13-9(3,10-11)14-8/h5-8H,4H2,1-3H3
InChIKeyUZKWPRVWAQSBBW-UHFFFAOYSA-N
XLogP1.47
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6,7-trimethyl-2-nitroso-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran?
The IUPAC name of 2,6,7-trimethyl-2-nitroso-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran (CID 91191497) is 2,6,7-trimethyl-2-nitroso-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran.
What is the SMILES notation for 2,6,7-trimethyl-2-nitroso-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran?
The canonical SMILES for 2,6,7-trimethyl-2-nitroso-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran is CC1COC2OC(C)(N=O)OC2C1C.
What is the InChIKey of 2,6,7-trimethyl-2-nitroso-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran?
The InChIKey is UZKWPRVWAQSBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-5-4-12-8-7(6(5)2)13-9(3,10-11)14-8/h5-8H,4H2,1-3H3.
What are the key properties of 2,6,7-trimethyl-2-nitroso-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran?
2,6,7-trimethyl-2-nitroso-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran has a molecular weight of 201.22 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trimethyl-2-nitroso-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran is sourced from PubChem (CID 91191497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).