(4S,5S)-1,5-dimethyl-4-(methylamino)pyrrolidin-3-one

C7H14N2O — CID 59107737

IUPAC(4S,5S)-1,5-dimethyl-4-(methylamino)pyrrolidin-3-one
SMILESCN[C@@H]1C(=O)CN(C)[C@H]1C
InChIInChI=1S/C7H14N2O/c1-5-7(8-2)6(10)4-9(5)3/h5,7-8H,4H2,1-3H3/t5-,7-/m0/s1
InChIKeyBXIFWFQARRWPCS-FSPLSTOPSA-N
MW142.20 g/mol
LogP-0.52
Rot. Bonds1

About (4S,5S)-1,5-dimethyl-4-(methylamino)pyrrolidin-3-one

(4S,5S)-1,5-dimethyl-4-(methylamino)pyrrolidin-3-one (PubChem CID 59107737) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (4S,5S)-1,5-dimethyl-4-(methylamino)pyrrolidin-3-one.

Molecular Properties

Compound Name(4S,5S)-1,5-dimethyl-4-(methylamino)pyrrolidin-3-one
PubChem CID59107737
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(4S,5S)-1,5-dimethyl-4-(methylamino)pyrrolidin-3-one
SMILESCN[C@@H]1C(=O)CN(C)[C@H]1C
InChIInChI=1S/C7H14N2O/c1-5-7(8-2)6(10)4-9(5)3/h5,7-8H,4H2,1-3H3/t5-,7-/m0/s1
InChIKeyBXIFWFQARRWPCS-FSPLSTOPSA-N
XLogP-0.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-1,5-dimethyl-4-(methylamino)pyrrolidin-3-one?
The IUPAC name of (4S,5S)-1,5-dimethyl-4-(methylamino)pyrrolidin-3-one (CID 59107737) is (4S,5S)-1,5-dimethyl-4-(methylamino)pyrrolidin-3-one.
What is the SMILES notation for (4S,5S)-1,5-dimethyl-4-(methylamino)pyrrolidin-3-one?
The canonical SMILES for (4S,5S)-1,5-dimethyl-4-(methylamino)pyrrolidin-3-one is CN[C@@H]1C(=O)CN(C)[C@H]1C.
What is the InChIKey of (4S,5S)-1,5-dimethyl-4-(methylamino)pyrrolidin-3-one?
The InChIKey is BXIFWFQARRWPCS-FSPLSTOPSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5-7(8-2)6(10)4-9(5)3/h5,7-8H,4H2,1-3H3/t5-,7-/m0/s1.
What are the key properties of (4S,5S)-1,5-dimethyl-4-(methylamino)pyrrolidin-3-one?
(4S,5S)-1,5-dimethyl-4-(methylamino)pyrrolidin-3-one has a molecular weight of 142.20 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-1,5-dimethyl-4-(methylamino)pyrrolidin-3-one is sourced from PubChem (CID 59107737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).