4-morpholin-4-yl-1-[(2S)-pyrrolidin-2-yl]butan-1-one

C12H22N2O2 — CID 58441844

IUPAC4-morpholin-4-yl-1-[(2S)-pyrrolidin-2-yl]butan-1-one
SMILESO=C(CCCN1CCOCC1)[C@@H]1CCCN1
InChIInChI=1S/C12H22N2O2/c15-12(11-3-1-5-13-11)4-2-6-14-7-9-16-10-8-14/h11,13H,1-10H2/t11-/m0/s1
InChIKeyMMTOHVAZCGTMMT-NSHDSACASA-N
MW226.32 g/mol
LogP0.42
Rot. Bonds5

About 4-morpholin-4-yl-1-[(2S)-pyrrolidin-2-yl]butan-1-one

4-morpholin-4-yl-1-[(2S)-pyrrolidin-2-yl]butan-1-one (PubChem CID 58441844) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-morpholin-4-yl-1-[(2S)-pyrrolidin-2-yl]butan-1-one.

Molecular Properties

Compound Name4-morpholin-4-yl-1-[(2S)-pyrrolidin-2-yl]butan-1-one
PubChem CID58441844
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-morpholin-4-yl-1-[(2S)-pyrrolidin-2-yl]butan-1-one
SMILESO=C(CCCN1CCOCC1)[C@@H]1CCCN1
InChIInChI=1S/C12H22N2O2/c15-12(11-3-1-5-13-11)4-2-6-14-7-9-16-10-8-14/h11,13H,1-10H2/t11-/m0/s1
InChIKeyMMTOHVAZCGTMMT-NSHDSACASA-N
XLogP0.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-1-[(2S)-pyrrolidin-2-yl]butan-1-one?
The IUPAC name of 4-morpholin-4-yl-1-[(2S)-pyrrolidin-2-yl]butan-1-one (CID 58441844) is 4-morpholin-4-yl-1-[(2S)-pyrrolidin-2-yl]butan-1-one.
What is the SMILES notation for 4-morpholin-4-yl-1-[(2S)-pyrrolidin-2-yl]butan-1-one?
The canonical SMILES for 4-morpholin-4-yl-1-[(2S)-pyrrolidin-2-yl]butan-1-one is O=C(CCCN1CCOCC1)[C@@H]1CCCN1.
What is the InChIKey of 4-morpholin-4-yl-1-[(2S)-pyrrolidin-2-yl]butan-1-one?
The InChIKey is MMTOHVAZCGTMMT-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12(11-3-1-5-13-11)4-2-6-14-7-9-16-10-8-14/h11,13H,1-10H2/t11-/m0/s1.
What are the key properties of 4-morpholin-4-yl-1-[(2S)-pyrrolidin-2-yl]butan-1-one?
4-morpholin-4-yl-1-[(2S)-pyrrolidin-2-yl]butan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-1-[(2S)-pyrrolidin-2-yl]butan-1-one is sourced from PubChem (CID 58441844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).