(2-oxo-1-pyridinyl) propan-2-yl carbonate

C9H11NO4 — CID 59672521

IUPAC(2-oxo-1-pyridinyl) propan-2-yl carbonate
SMILESCC(C)OC(=O)On1ccccc1=O
InChIInChI=1S/C9H11NO4/c1-7(2)13-9(12)14-10-6-4-3-5-8(10)11/h3-7H,1-2H3
InChIKeyMROZSZGPHXHFBV-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.82
Rot. Bonds2

About (2-oxo-1-pyridinyl) propan-2-yl carbonate

(2-oxo-1-pyridinyl) propan-2-yl carbonate (PubChem CID 59672521) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is (2-oxo-1-pyridinyl) propan-2-yl carbonate.

Molecular Properties

Compound Name(2-oxo-1-pyridinyl) propan-2-yl carbonate
PubChem CID59672521
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name(2-oxo-1-pyridinyl) propan-2-yl carbonate
SMILESCC(C)OC(=O)On1ccccc1=O
InChIInChI=1S/C9H11NO4/c1-7(2)13-9(12)14-10-6-4-3-5-8(10)11/h3-7H,1-2H3
InChIKeyMROZSZGPHXHFBV-UHFFFAOYSA-N
XLogP0.82
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-pyridinyl) propan-2-yl carbonate?
The IUPAC name of (2-oxo-1-pyridinyl) propan-2-yl carbonate (CID 59672521) is (2-oxo-1-pyridinyl) propan-2-yl carbonate.
What is the SMILES notation for (2-oxo-1-pyridinyl) propan-2-yl carbonate?
The canonical SMILES for (2-oxo-1-pyridinyl) propan-2-yl carbonate is CC(C)OC(=O)On1ccccc1=O.
What is the InChIKey of (2-oxo-1-pyridinyl) propan-2-yl carbonate?
The InChIKey is MROZSZGPHXHFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-7(2)13-9(12)14-10-6-4-3-5-8(10)11/h3-7H,1-2H3.
What are the key properties of (2-oxo-1-pyridinyl) propan-2-yl carbonate?
(2-oxo-1-pyridinyl) propan-2-yl carbonate has a molecular weight of 197.19 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-pyridinyl) propan-2-yl carbonate is sourced from PubChem (CID 59672521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).