(5R)-1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one

C11H20N2O2 — CID 100665424

IUPAC(5R)-1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one
SMILESCN1C(=O)CC[C@@H]1CNC1CCOCC1
InChIInChI=1S/C11H20N2O2/c1-13-10(2-3-11(13)14)8-12-9-4-6-15-7-5-9/h9-10,12H,2-8H2,1H3/t10-/m1/s1
InChIKeyKLVBPEFDBDVRNR-SNVBAGLBSA-N
MW212.29 g/mol
LogP0.38
Rot. Bonds3

About (5R)-1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one

(5R)-1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one (PubChem CID 100665424) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (5R)-1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one
PubChem CID100665424
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(5R)-1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one
SMILESCN1C(=O)CC[C@@H]1CNC1CCOCC1
InChIInChI=1S/C11H20N2O2/c1-13-10(2-3-11(13)14)8-12-9-4-6-15-7-5-9/h9-10,12H,2-8H2,1H3/t10-/m1/s1
InChIKeyKLVBPEFDBDVRNR-SNVBAGLBSA-N
XLogP0.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-(ethylaminomethyl)-1-methylpyrrolidin-2-one
CID 146339666
(5S)-5-[[[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]amino]methyl]-1-methylpyrrolidin-2-one
CID 28685236
(5S)-5-(3,3-dimethylbutyl)-1-methylpyrrolidin-2-one
CID 163585594
(5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-one
CID 130735003
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxan-4-amine
CID 93218125
N-[(1-methylpyrrolidin-2-yl)methyl]oxolan-3-amine
CID 115688929
1-methyl-5-(2-morpholin-4-ylethylamino)piperidin-2-one
CID 64655351
4-[2-(oxan-4-ylamino)ethyl]cyclohexan-1-one
CID 153338626
5-[[cyclobutyl(methyl)amino]methyl]-1-methylpyrrolidin-2-one
CID 126856976
(5S)-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one
CID 100665400
N-(2-methylpropyl)oxan-4-amine;molecular hydrogen
CID 156813143
N-(2-pyrrolidin-1-ylethyl)oxan-4-amine
CID 43608501

Frequently Asked Questions

What is the IUPAC name of (5R)-1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one (CID 100665424) is (5R)-1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one is CN1C(=O)CC[C@@H]1CNC1CCOCC1.
What is the InChIKey of (5R)-1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one?
The InChIKey is KLVBPEFDBDVRNR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-13-10(2-3-11(13)14)8-12-9-4-6-15-7-5-9/h9-10,12H,2-8H2,1H3/t10-/m1/s1.
What are the key properties of (5R)-1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one?
(5R)-1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one has a molecular weight of 212.29 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 100665424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).