3-[[(2R)-oxolan-2-yl]methylamino]cyclohex-2-en-1-one

C11H17NO2 — CID 30033701

IUPAC3-[[(2R)-oxolan-2-yl]methylamino]cyclohex-2-en-1-one
SMILESO=C1C=C(NC[C@H]2CCCO2)CCC1
InChIInChI=1S/C11H17NO2/c13-10-4-1-3-9(7-10)12-8-11-5-2-6-14-11/h7,11-12H,1-6,8H2/t11-/m1/s1
InChIKeyKQLBSGWXXUSTKU-LLVKDONJSA-N
MW195.26 g/mol
LogP1.39
Rot. Bonds3

About 3-[[(2R)-oxolan-2-yl]methylamino]cyclohex-2-en-1-one

3-[[(2R)-oxolan-2-yl]methylamino]cyclohex-2-en-1-one (PubChem CID 30033701) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-[[(2R)-oxolan-2-yl]methylamino]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[[(2R)-oxolan-2-yl]methylamino]cyclohex-2-en-1-one
PubChem CID30033701
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-[[(2R)-oxolan-2-yl]methylamino]cyclohex-2-en-1-one
SMILESO=C1C=C(NC[C@H]2CCCO2)CCC1
InChIInChI=1S/C11H17NO2/c13-10-4-1-3-9(7-10)12-8-11-5-2-6-14-11/h7,11-12H,1-6,8H2/t11-/m1/s1
InChIKeyKQLBSGWXXUSTKU-LLVKDONJSA-N
XLogP1.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-oxolan-2-yl]methylamino]cyclohex-2-en-1-one?
The IUPAC name of 3-[[(2R)-oxolan-2-yl]methylamino]cyclohex-2-en-1-one (CID 30033701) is 3-[[(2R)-oxolan-2-yl]methylamino]cyclohex-2-en-1-one.
What is the SMILES notation for 3-[[(2R)-oxolan-2-yl]methylamino]cyclohex-2-en-1-one?
The canonical SMILES for 3-[[(2R)-oxolan-2-yl]methylamino]cyclohex-2-en-1-one is O=C1C=C(NC[C@H]2CCCO2)CCC1.
What is the InChIKey of 3-[[(2R)-oxolan-2-yl]methylamino]cyclohex-2-en-1-one?
The InChIKey is KQLBSGWXXUSTKU-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO2/c13-10-4-1-3-9(7-10)12-8-11-5-2-6-14-11/h7,11-12H,1-6,8H2/t11-/m1/s1.
What are the key properties of 3-[[(2R)-oxolan-2-yl]methylamino]cyclohex-2-en-1-one?
3-[[(2R)-oxolan-2-yl]methylamino]cyclohex-2-en-1-one has a molecular weight of 195.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-oxolan-2-yl]methylamino]cyclohex-2-en-1-one is sourced from PubChem (CID 30033701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).