(3R)-3-propan-2-yl-3H-azet-2-one

C6H9NO — CID 58112528

IUPAC(3R)-3-propan-2-yl-3H-azet-2-one
SMILESCC(C)[C@@H]1C=NC1=O
InChIInChI=1S/C6H9NO/c1-4(2)5-3-7-6(5)8/h3-5H,1-2H3/t5-/m0/s1
InChIKeyOGJKGILPSFPJGR-YFKPBYRVSA-N
MW111.14 g/mol
LogP0.87
Rot. Bonds1

About (3R)-3-propan-2-yl-3H-azet-2-one

(3R)-3-propan-2-yl-3H-azet-2-one (PubChem CID 58112528) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (3R)-3-propan-2-yl-3H-azet-2-one.

Molecular Properties

Compound Name(3R)-3-propan-2-yl-3H-azet-2-one
PubChem CID58112528
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(3R)-3-propan-2-yl-3H-azet-2-one
SMILESCC(C)[C@@H]1C=NC1=O
InChIInChI=1S/C6H9NO/c1-4(2)5-3-7-6(5)8/h3-5H,1-2H3/t5-/m0/s1
InChIKeyOGJKGILPSFPJGR-YFKPBYRVSA-N
XLogP0.87
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-propan-2-yl-3H-azet-2-one?
The IUPAC name of (3R)-3-propan-2-yl-3H-azet-2-one (CID 58112528) is (3R)-3-propan-2-yl-3H-azet-2-one.
What is the SMILES notation for (3R)-3-propan-2-yl-3H-azet-2-one?
The canonical SMILES for (3R)-3-propan-2-yl-3H-azet-2-one is CC(C)[C@@H]1C=NC1=O.
What is the InChIKey of (3R)-3-propan-2-yl-3H-azet-2-one?
The InChIKey is OGJKGILPSFPJGR-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NO/c1-4(2)5-3-7-6(5)8/h3-5H,1-2H3/t5-/m0/s1.
What are the key properties of (3R)-3-propan-2-yl-3H-azet-2-one?
(3R)-3-propan-2-yl-3H-azet-2-one has a molecular weight of 111.14 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-propan-2-yl-3H-azet-2-one is sourced from PubChem (CID 58112528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).